N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2,5-dimethylphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2,5-dimethylbenzyl)-N-homoveratryl-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)S(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)S(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C33H32N2O5S/c1-21-9-10-22(2)25(17-21)20-35-27-19-24(12-14-31(27)41(38)30-8-6-5-7-26(30)33(35)37)32(36)34-16-15-23-11-13-28(39-3)29(18-23)40-4/h5-14,17-19H,15-16,20H2,1-4H3,(H,34,36)