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

Systemtic Name: (4-methylpiperazin-1-yl) 1,3-dimethyl-4-oxidanylidene-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Openeye Name: (4-methylpiperazin-1-yl) 1,3-dimethyl-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate CAS Name: 1,3-dimethyl-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methyl-1-piperazinyl) ester IUPAC Name: (4-methylpiperazin-1-yl) 1,3-dimethyl-4-oxo-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylate Traditional Name: 4-keto-1,3-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepine-10-carboxylic acid (4-methylpiperazino) ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)C)N(C3=CC=CC=C3NC2=O)C(=O)ON4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=C(S1)C)N(C3=CC=CC=C3NC2=O)C(=O)ON4CCN(CC4)C

InChI

InChI=1S/C19H22N4O3S/c1-12-16-17(13(2)27-12)23(15-7-5-4-6-14(15)20-18(16)24)19(25)26-22-10-8-21(3)9-11-22/h4-7H,8-11H2,1-3H3,(H,20,24)