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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-p-anisyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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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)N3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H18N2O3S/c1-27-16-9-6-14(7-10-16)13-23-21(25)15-8-11-20-18(12-15)24-22(26)17-4-2-3-5-19(17)28-20/h2-12H,13H2,1H3,(H,23,25)(H,24,26)