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

Systemtic Name: 6-ethyl-N-[(4-methoxyphenyl)methyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethyl-N-[(4-methoxyphenyl)methyl]-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethyl-N-[(4-methoxyphenyl)methyl]-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-ethyl-N-[(4-methoxyphenyl)methyl]-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethyl-8-methyl-N-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H24N2O2S/c1-4-21-20-13-16(2)5-11-23(20)30-24-12-8-18(14-22(24)27-21)25(28)26-15-17-6-9-19(29-3)10-7-17/h5-14H,4,15H2,1-3H3,(H,26,28)