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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C29H32N2O3S/c1-5-23-22-16-19(4)8-12-27(22)35-28-13-10-21(18-24(28)31-23)29(32)30-15-14-20-9-11-25(33-6-2)26(17-20)34-7-3/h8-13,16-18H,5-7,14-15H2,1-4H3,(H,30,32)