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

Systemtic Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3-bromophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-bromophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-bromophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O2S2 MolecularWeight: 475.42176

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=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O2S2/c1-2-26-20(25)18-13-17(11-14-7-4-3-5-8-14)28-19(18)24-21(27)23-16-10-6-9-15(22)12-16/h3-10,12-13H,2,11H2,1H3,(H2,23,24,27)