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

Systemtic Name: N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(4-isobutoxy-3-methoxy-phenyl)methyl]-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-isobutoxy-3-methoxy-benzyl)-4-keto-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)OCC(C)C)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)OCC(C)C)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C25H32N2O4S/c1-5-11-27(15-18-6-8-21(22(13-18)30-4)31-16-17(2)3)25(29)19-7-9-23-20(14-19)26-24(28)10-12-32-23/h6-9,13-14,17H,5,10-12,15-16H2,1-4H3,(H,26,28)