6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carboxamide Openeye Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-(4-benzyloxyphenyl)-5-cyano-2-methyl-N-(o-tolyl)pyridine-3-carboxamide CAS Name: 6-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(4-phenylmethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carboxamide Traditional Name: 6-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-(4-benzoxyphenyl)-5-cyano-2-methyl-N-(o-tolyl)nicotinamide Formula: C37H29N5O3S2 MolecularWeight: 655.78786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)SCC(=O)NC5=NC6=CC=CC=C6S5)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)SCC(=O)NC5=NC6=CC=CC=C6S5)C

InChI

InChI=1S/C37H29N5O3S2/c1-23-10-6-7-13-29(23)40-35(44)33-24(2)39-36(46-22-32(43)42-37-41-30-14-8-9-15-31(30)47-37)28(20-38)34(33)26-16-18-27(19-17-26)45-21-25-11-4-3-5-12-25/h3-19H,21-22H2,1-2H3,(H,40,44)(H,41,42,43)