N-(2-ethoxyphenyl)-7-oxidanylidene-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-7-oxidanylidene-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Openeye Name: N-(2-ethoxyphenyl)-7-oxo-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide CAS Name: N-(2-ethoxyphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Traditional Name: 7-keto-N-o-phenetyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2C(C3=C(CCCC3=O)NC4=CC=CC=C42)C5=CC=CS5

InChI

InChI=1S/C26H25N3O3S/c1-2-32-22-14-6-4-10-18(22)28-26(31)29-20-12-5-3-9-17(20)27-19-11-7-13-21(30)24(19)25(29)23-15-8-16-33-23/h3-6,8-10,12,14-16,25,27H,2,7,11,13H2,1H3,(H,28,31)