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

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(4-methoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O3S2/c1-30-20-10-8-19(9-11-20)27-12-14-28(15-13-27)25(32)26-23-22(24(29)31-2)17-21(33-23)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,26,32)