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

Systemtic Name: methyl 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chlorobenzyl)piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H24ClN3O2S2/c1-13-14(2)28-18(17(13)19(25)26-3)22-20(27)24-10-8-23(9-11-24)12-15-4-6-16(21)7-5-15/h4-7H,8-12H2,1-3H3,(H,22,27)