ethyl 2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[1-(o-tolylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[1-(2-methylbenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26N4O2S2 MolecularWeight: 490.64024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H26N4O2S2/c1-3-32-25(31)22-16-21(15-19-10-5-4-6-11-19)34-24(22)28-26(33)27-23-13-14-30(29-23)17-20-12-8-7-9-18(20)2/h4-14,16H,3,15,17H2,1-2H3,(H2,27,28,29,33)