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

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)propyl]-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CCCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C22H26N2O4S/c1-24(11-4-5-15-6-8-18(27-2)19(13-15)28-3)22(26)16-7-9-20-17(14-16)23-21(25)10-12-29-20/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,23,25)