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

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(3-methyl-4-pyrrolidino-phenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)N4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-14-12-16(5-6-18(14)24-9-2-3-10-24)22-21(26)15-4-7-19-17(13-15)23-20(25)8-11-27-19/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,26)(H,23,25)