N-[(4-methoxyphenyl)methyl]-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H24N2O3S MolecularWeight: 480.57746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O3S/c1-34-23-14-11-20(12-15-23)18-30-28(32)22-13-16-27-25(17-22)31(19-21-7-3-2-4-8-21)29(33)24-9-5-6-10-26(24)35-27/h2-17H,18-19H2,1H3,(H,30,32)