N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(5-carbamoyl-2-pyrrolidino-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N4O3S/c22-20(27)13-3-5-17(25-8-1-2-9-25)15(11-13)24-21(28)14-4-6-18-16(12-14)23-19(26)7-10-29-18/h3-6,11-12H,1-2,7-10H2,(H2,22,27)(H,23,26)(H,24,28)