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

Systemtic Name: methyl 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-(p-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylbenzyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O2S2 MolecularWeight: 465.63078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O2S2/c1-18-8-10-19(11-9-18)17-27-12-14-28(15-13-27)25(31)26-23-21(24(29)30-2)16-22(32-23)20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,26,31)