methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[1-(4-bromobenzyl)pyrazol-3-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H21BrN4O2S2 MolecularWeight: 541.48314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN4O2S2/c1-31-23(30)20-14-19(13-16-5-3-2-4-6-16)33-22(20)27-24(32)26-21-11-12-29(28-21)15-17-7-9-18(25)10-8-17/h2-12,14H,13,15H2,1H3,(H2,26,27,28,32)