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

Systemtic Name: 4-oxidanylidene-N-[4-(propan-2-ylcarbamoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(isopropylcarbamoylamino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-12(2)21-20(27)23-15-6-4-14(5-7-15)22-19(26)13-3-8-17-16(11-13)24-18(25)9-10-28-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,24,25)(H2,21,23,27)