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

Systemtic Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[(1S)-1-(4-isobutylphenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C22H26N2O2S/c1-14(2)12-16-4-6-17(7-5-16)15(3)23-22(26)18-8-9-20-19(13-18)24-21(25)10-11-27-20/h4-9,13-15H,10-12H2,1-3H3,(H,23,26)(H,24,25)/t15-/m0/s1