(4-methylpiperazin-1-yl) 1-chloranyl-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate

Systemtic Name: (4-methylpiperazin-1-yl) 1-chloranyl-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Openeye Name: (4-methylpiperazin-1-yl) 1-chloro-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate CAS Name: 1-chloro-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methyl-1-piperazinyl) ester IUPAC Name: (4-methylpiperazin-1-yl) 1-chloro-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Traditional Name: 1-chloro-4-keto-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methylpiperazino) ester Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC(=C42)Cl

Isomeric SMILES

CN1CCN(CC1)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC(=C42)Cl

InChI

InChI=1S/C17H17ClN4O3S/c1-20-6-8-21(9-7-20)25-17(24)22-13-5-3-2-4-12(13)19-16(23)11-10-26-15(18)14(11)22/h2-5,10H,6-9H2,1H3,(H,19,23)