55997591 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 16 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 8 8 8 9 9 9 11 11 11 12 12 13 15 15 16 17 18 18 19 20 20 21 21 22 22 23 24 24 24 26 26 26 27 27 27 10 12 17 24 16 26 14 25 9 14 30 10 13 25 27 43 10 28 29 14 15 18 13 20 21 16 31 17 19 19 32 33 22 34 23 35 23 36 37 25 38 39 40 41 42 44 45 46 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 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 4.6783 9.7619 7.7619 8.2619 10.7619 6.7619 4.6783 12.2619 6.2619 5.2619 8.2619 3.732 3.732 7.7619 7.7619 8.2619 9.2619 9.2619 9.7619 2.866 2.866 2 2 10.7619 11.2619 8.2619 12.7619 6.8445 6.1542 6.4519 7.1419 9.5719 10.3819 2.866 2.866 1.4631 1.4631 11.3445 10.6542 7.7249 8.5719 8.7988 12.5719 12.2249 13.0719 13.2988 3.3358 -1.799 -1.799 2.5311 -3.5311 1.6651 1.7264 -2.6651 2.5311 2.5311 0.799 3.0311 2.0311 1.6651 -0.067 -0.933 -0.933 0.799 -0.067 3.5311 1.5311 3.0311 2.0311 -1.799 -2.6651 -2.6651 -3.5311 2.7431 3.1417 1.1281 -0.067 1.336 -0.067 4.1511 0.9111 3.3411 1.7211 -1.587 -1.1885 -2.9751 -3.202 -2.3551 -2.1281 -3.8411 -4.068 -3.2211 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 11 11 12 12 13 15 16 17 18 20 21 22 10 12 10 13 15 18 13 20 21 16 17 19 19 22 23 23 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 521 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 2 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 00000371E07B380040000000000000000000000000016000000030600000000000005801F400001E04100000000C0CE1DE0632C7B2C81408AC032572540283F8A0652A384898BD7EECD80F66B2E4B59F97392AE4D611FAE987BADC12CE20000100000041004000020000008200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-[2-(methylamino)-2-oxo-ethoxy]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-[2-(methylamino)-2-oxidanylidene-ethoxy]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1,3-benzothiazol-2-ylmethyl)-4-[2-keto-2-(methylamino)ethoxy]-3-methoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H19N3O4S/c1-20-17(23)11-26-14-8-7-12(9-15(14)25-2)19(24)21-10-18-22-13-5-3-4-6-16(13)27-18/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MRYWTPWFNVIZFK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.10962727 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H19N3O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 118 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.10962727 27 0 0 0 0 0 0 0 1 -1