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

Systemtic Name: ethyl 2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(2-methylbenzyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O2S2/c1-3-32-26(31)24-18-23(17-21-10-5-4-6-11-21)34-25(24)28-27(33)30-15-13-29(14-16-30)19-22-12-8-7-9-20(22)2/h4-12,18H,3,13-17,19H2,1-2H3,(H,28,33)