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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-N-p-anisyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H26N2O2S/c1-4-5-22-21-14-17(2)6-12-24(21)31-25-13-9-19(15-23(25)28-22)26(29)27-16-18-7-10-20(30-3)11-8-18/h6-15H,4-5,16H2,1-3H3,(H,27,29)