N-[(4-methoxyphenyl)methyl]-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-[(4-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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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)N3CC=C

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C25H22N2O3S/c1-3-14-27-21-15-18(24(28)26-16-17-8-11-19(30-2)12-9-17)10-13-23(21)31-22-7-5-4-6-20(22)25(27)29/h3-13,15H,1,14,16H2,2H3,(H,26,28)