28376856 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 16 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 28 28 29 29 30 31 31 31 16 17 12 13 15 27 31 8 9 10 14 15 16 16 20 11 32 33 12 34 35 13 36 37 14 38 39 40 41 42 43 44 45 17 18 19 46 21 22 23 24 25 47 26 48 28 49 29 50 27 51 27 52 30 53 30 54 55 56 57 58 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 17 1 15 18 19 46 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 4.6456 3.2771 3.0934 2.866 4.4526 4.8147 6.3092 5.0404 3.4581 4.8594 4.6337 2.8703 4.2716 5.2215 3.8366 5.3147 3.732 2.866 2.866 6.716 3.732 2 7.7105 6.1282 3.732 2 2.866 8.1172 6.5349 7.5295 2 5.5544 5.4711 2.9009 3.629 5.3734 5.29 4.1197 4.203 2.3563 2.4396 4.8288 4.1007 5.7355 5.6522 2.3291 4.269 1.4631 8.0749 5.5116 4.269 1.4631 8.7338 6.1705 7.7816 1.69 1.4631 2.31 -1.0918 5.5805 0.9786 -5.1851 3.9625 0.5174 -0.4532 3.1535 3.858 4.876 2.2399 4.667 5.6851 1.4309 0.3095 -0.3487 -0.6851 -1.1851 -2.1851 -1.3667 -2.6851 -2.6851 -1.4712 -2.1757 -3.6851 -3.6851 -4.1851 -2.3848 -3.0893 -3.1938 -5.6851 2.8068 3.5995 3.5862 3.262 4.5293 5.322 2.5866 1.7939 5.0137 4.221 5.9568 6.281 1.0842 1.8769 -0.8751 -2.3751 -2.3751 -0.9697 -2.1109 -3.9951 -3.9951 -2.4496 -3.5909 -3.7602 -5.1481 -5.9951 -6.222 1 8 8 8 8 8 8 8 8 8 8 8 8 17 19 19 20 20 21 22 23 24 25 26 28 29 18 21 22 23 24 25 26 28 29 27 27 30 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 649 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30004000000000000000000000000001600000003C6080000000000000014000001E04000000000C0CE1D80633C683000408A802255274008218016022100988000E6CC80E262284F99B87302064C61198E98790C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-methoxyphenyl)methylene]-3-(3-morpholinopropyl)-2-phenylimino-thiazolidin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-methoxyphenyl)methylidene]-3-[3-(4-morpholinyl)propyl]-2-phenylimino-4-thiazolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-methoxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-methoxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[(4-methoxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-morpholinopropyl)-5-p-anisylidene-2-phenylimino-thiazolidin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H27N3O3S/c1-29-21-10-8-19(9-11-21)18-22-23(28)27(13-5-12-26-14-16-30-17-15-26)24(31-22)25-20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FIOYQXGHBGYYGT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 437.17731291 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H27N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 437.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCN4CCOCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)CCCN4CCOCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 79.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 437.17731291 31 0 0 0 1 0 1 0 1 -1