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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

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