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

Systemtic Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-[[(cyclopropylamino)-oxomethyl]amino]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(cyclopropylcarbamoylamino)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC1NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H20N4O3S/c25-18-9-10-28-17-8-1-12(11-16(17)24-18)19(26)21-13-2-4-14(5-3-13)22-20(27)23-15-6-7-15/h1-5,8,11,15H,6-7,9-10H2,(H,21,26)(H,24,25)(H2,22,23,27)