46471789 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 16 8 8 7 7 7 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 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 13 13 14 14 15 15 16 17 17 18 19 21 21 22 23 23 23 24 24 24 20 22 17 24 12 7 9 25 12 20 34 20 21 8 10 11 12 13 14 15 26 16 27 18 28 19 29 16 30 31 18 19 32 33 22 23 35 36 37 38 39 40 41 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 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 9.7372 2.866 7.1962 6.3301 8.9282 8.1192 7.1962 8.0622 5.4641 7.1962 8.9282 8.0622 4.5981 5.4641 8.0622 8.9282 3.732 3.732 4.5981 8.9282 8.4282 9.4282 7.8404 2 6.3301 6.6592 9.4651 4.5981 6.001 8.0622 9.4651 3.1951 4.5981 9.4651 9.7926 8.342 7.476 7.3388 2.31 1.4631 1.69 1.6639 -3.4239 0.0761 -1.4239 0.0761 1.6639 -1.9239 -1.4239 -1.9239 -2.9239 -1.9239 -0.4239 -1.4239 -2.9239 -3.4239 -2.9239 -2.9239 -1.9239 -3.4239 1.0761 2.6149 2.6149 3.4239 -2.9239 -0.8039 -3.2339 -1.6139 -0.8039 -3.2339 -4.0439 -3.2339 -1.6139 -4.0439 -0.2339 3.1165 3.7884 3.9255 3.0595 -2.387 -2.6139 -3.4609 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 7 7 8 9 9 10 11 13 14 15 17 17 21 20 22 20 21 8 10 11 13 14 15 16 18 19 16 18 19 22 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 415 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300040000000000000000000000000016000000030600000000000000001D000001E04100000000C0C85DE02B3D792C81408AC032572740082F8A9652A39098815166CC88C267AE4FD9B8431A86CD113C8E9E7B8C8008E00400000000200000080000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-methoxyanilino)-N-(4-methylthiazol-2-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-methoxyanilino)-N-(4-methyl-2-thiazolyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-methoxyanilino)-<I>N</I>-(4-methyl-1,3-thiazol-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(4-methoxyanilino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[(4-methoxyphenyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methylthiazol-2-yl)-2-(p-anisidino)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H17N3O2S/c1-12-11-24-18(19-12)21-17(22)15-5-3-4-6-16(15)20-13-7-9-14(23-2)10-8-13/h3-11,20H,1-2H3,(H,19,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XXBBMYYAAQUNGV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 339.10414797 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H17N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 339.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CSC(=N1)NC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CSC(=N1)NC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 91.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 339.10414797 24 0 0 0 0 0 0 0 1 -1