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

Systemtic Name: 7-oxidanylidene-N-propyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Openeye Name: 7-oxo-N-propyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide CAS Name: 7-oxo-N-propyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide IUPAC Name: 7-oxo-N-propyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Traditional Name: 7-keto-N-propyl-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CS4

Isomeric SMILES

CCCNC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c1-2-12-22-21(26)24-16-9-4-3-7-14(16)23-15-8-5-10-17(25)19(15)20(24)18-11-6-13-27-18/h3-4,6-7,9,11,13,20,23H,2,5,8,10,12H2,1H3,(H,22,26)