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

Systemtic Name: (3,4-dimethylpiperazin-1-yl) 4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Openeye Name: (3,4-dimethylpiperazin-1-yl) 4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate CAS Name: 4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (3,4-dimethyl-1-piperazinyl) ester IUPAC Name: (3,4-dimethylpiperazin-1-yl) 4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Traditional Name: 4-keto-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (3,4-dimethylpiperazino) ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42

Isomeric SMILES

CC1CN(CCN1C)OC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42

InChI

InChI=1S/C18H20N4O3S/c1-12-9-21(8-7-20(12)2)25-18(24)22-15-6-4-3-5-14(15)19-17(23)13-10-26-11-16(13)22/h3-6,10-12H,7-9H2,1-2H3,(H,19,23)