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

Systemtic Name: N-[3-chloranyl-4-(diethylcarbamoyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-chloro-4-[diethylamino(oxo)methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-3-25(4-2)21(28)15-7-6-14(12-16(15)22)23-20(27)13-5-8-18-17(11-13)24-19(26)9-10-29-18/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,27)(H,24,26)