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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OC)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OC)SC4=CC=CC=C41

InChI

InChI=1S/C25H24N2O2S/c1-3-8-20-19-10-5-7-12-23(19)30-24-14-13-17(15-21(24)27-20)25(28)26-16-18-9-4-6-11-22(18)29-2/h4-7,9-15H,3,8,16H2,1-2H3,(H,26,28)