N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-4-26(5-2)20(16-7-6-8-18(13-16)29-3)15-24-23(28)17-9-10-21-19(14-17)25-22(27)11-12-30-21/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,28)(H,25,27)