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

Systemtic Name: 4-oxidanylidene-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C21H24N4O3S/c1-13(2)23-21(28)24-16-6-3-14(4-7-16)12-22-20(27)15-5-8-18-17(11-15)25-19(26)9-10-29-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,25,26)(H2,23,24,28)