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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C22H26N2O2S/c1-4-15-5-7-16(8-6-15)21(14(2)3)24-22(26)17-9-10-19-18(13-17)23-20(25)11-12-27-19/h5-10,13-14,21H,4,11-12H2,1-3H3,(H,23,25)(H,24,26)