ethyl 4,5-dimethyl-2-[(4-methylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(4-methylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C15H23N3O2S2 MolecularWeight: 341.49202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)N2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)N2CCN(CC2)C

InChI

InChI=1S/C15H23N3O2S2/c1-5-20-14(19)12-10(2)11(3)22-13(12)16-15(21)18-8-6-17(4)7-9-18/h5-9H2,1-4H3,(H,16,21)