N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3-bromobenzyl)-N-cyclopropyl-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H19BrN2O2S/c21-15-3-1-2-13(10-15)12-23(16-5-6-16)20(25)14-4-7-18-17(11-14)22-19(24)8-9-26-18/h1-4,7,10-11,16H,5-6,8-9,12H2,(H,22,24)