ethyl 2-[(2,4-dichlorophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2,4-dichlorophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2,4-dichlorophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2,4-dichlorophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2,4-dichlorophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H18Cl2N2O2S2 MolecularWeight: 465.41582

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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O2S2/c1-2-27-20(26)16-12-15(10-13-6-4-3-5-7-13)29-19(16)25-21(28)24-18-9-8-14(22)11-17(18)23/h3-9,11-12H,2,10H2,1H3,(H2,24,25,28)