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

Systemtic Name: methyl 2-[(4-cyclohexylpiperazin-1-yl)carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-cyclohexyl-1-piperazinyl)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H29N3O2S2 MolecularWeight: 395.58246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3CCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3CCCCC3)C

InChI

InChI=1S/C19H29N3O2S2/c1-13-14(2)26-17(16(13)18(23)24-3)20-19(25)22-11-9-21(10-12-22)15-7-5-4-6-8-15/h15H,4-12H2,1-3H3,(H,20,25)