N-[2-(4-ethoxyphenyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(2-p-phenetylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H22N2O3S/c1-2-29-18-10-7-16(8-11-18)13-14-25-23(27)17-9-12-22-20(15-17)26-24(28)19-5-3-4-6-21(19)30-22/h3-12,15H,2,13-14H2,1H3,(H,25,27)(H,26,28)