56503366 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 16 8 8 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 13 13 14 14 15 15 16 16 17 18 18 18 20 20 20 21 21 22 23 24 26 26 27 27 28 29 29 30 25 28 12 21 22 19 9 11 12 10 12 35 19 25 43 24 25 10 31 32 33 34 13 14 15 18 17 36 16 37 17 19 38 39 40 41 22 23 26 23 24 27 42 28 29 44 30 45 46 30 47 48 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 1 1 1 2 1 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 7.8007 11.9503 4.6783 9.6278 12.7594 13.7104 8.6097 6.8497 13.7104 14.2982 11.9503 12.7594 12.0549 11.0368 11.2458 10.3323 10.2278 12.9684 9.5233 3.732 5.2619 3.732 4.6783 6.2619 7.8007 2.866 2.866 6.8497 2 2 14.2473 13.4582 14.7589 14.7589 13.902 10.972 11.3107 9.6614 13.2206 13.5348 12.7162 4.8709 8.5449 2.866 2.866 6.6581 1.4631 1.4631 2.4654 -2.6545 1.1607 2.2789 -1.0668 -2.3758 0.8776 1.1564 -0.7577 -1.5668 -0.479 -2.0668 0.5155 -0.8857 1.1033 0.6966 -0.2979 0.9223 1.2844 2.4654 1.9654 1.4654 2.7702 1.9654 1.4654 2.9654 0.9654 2.7744 2.4654 1.4654 -0.4477 -0.1913 -1.9816 -1.1519 -2.9654 -1.5023 1.7199 -0.5501 0.3559 1.1745 1.4887 3.3595 0.261 3.5854 0.3454 3.3641 2.7754 1.1554 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 8 8 11 11 13 14 15 16 20 20 20 21 22 24 26 27 29 25 28 21 22 24 25 13 14 15 17 16 17 22 23 26 23 27 28 29 30 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 664 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB000400000000000000000000000000162C4800030600000000000004801FC00001E04100000000C0CC5DE04B3D7D3C81448AC03A572740482F8A9672A390988B5BE6CD88E66B2E4BDBB973928ECD713D8E9A798D9E39E08000200000A00001000040000140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(benzofuran-2-yl)thiazol-2-yl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(2-benzofuranyl)-2-thiazolyl]-3-methyl-4-(2-oxo-1-imidazolidinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-4-(2-oxidanylideneimidazolidin-1-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(benzofuran-2-yl)thiazol-2-yl]-4-(2-ketoimidazolidin-1-yl)-3-methyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H18N4O3S/c1-13-10-15(6-7-17(13)26-9-8-23-22(26)28)20(27)25-21-24-16(12-30-21)19-11-14-4-2-3-5-18(14)29-19/h2-7,10-12H,8-9H2,1H3,(H,23,28)(H,24,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SOVGXFNKJDXZDF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.10996162 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H18N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4O3)N5CCNC5=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4O3)N5CCNC5=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 116 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.10996162 30 0 0 0 0 0 0 0 1 -1