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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)OC

InChI

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