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

Systemtic Name: dimethyl 5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-[(3-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(3-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(3-chlorobenzyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S2/c1-13-16(19(26)28-2)18(31-17(13)20(27)29-3)23-21(30)25-9-7-24(8-10-25)12-14-5-4-6-15(22)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,23,30)