methyl 2-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-dichlorophenyl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,4-dichlorobenzyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18Cl2N2O2S2 MolecularWeight: 465.41582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl)C(=O)OC)C3=CC=CC=C3

InChI

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