5-cyano-2-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-6-[[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-2-methyl-6-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]thio]-2-methyl-N-phenyl-nicotinamide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N4O2S2/c1-17-12-13-30(22-10-6-7-11-23(22)34-17)24(31)16-33-26-19(15-27)14-21(18(2)28-26)25(32)29-20-8-4-3-5-9-20/h3-11,14,17H,12-13,16H2,1-2H3,(H,29,32)