N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C30H34N2O3S/c1-5-8-24-23-17-20(4)9-13-28(23)36-29-14-11-22(19-25(29)32-24)30(33)31-16-15-21-10-12-26(34-6-2)27(18-21)35-7-3/h9-14,17-19H,5-8,15-16H2,1-4H3,(H,31,33)