N-[(2-methoxyphenyl)methyl]-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,7,10-trimethyl-N-o-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4OC)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4OC)SC2=C(C=C1)C)C

InChI

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