N-[4-(diethylcarbamoyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[4-(diethylcarbamoyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(diethylcarbamoyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-[diethylamino(oxo)methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(diethylcarbamoyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(diethylcarbamoyl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-3-24(4-2)21(27)14-5-8-16(9-6-14)22-20(26)15-7-10-18-17(13-15)23-19(25)11-12-28-18/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,26)(H,23,25)