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

Systemtic Name: methyl 2-[(4-bromophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-bromophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-bromophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-bromophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H17BrN2O2S2 MolecularWeight: 461.39518

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=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O2S2/c1-25-19(24)17-12-16(11-13-5-3-2-4-6-13)27-18(17)23-20(26)22-15-9-7-14(21)8-10-15/h2-10,12H,11H2,1H3,(H2,22,23,26)