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

Systemtic Name: ethyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3,4-dichlorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3,4-dichlorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,4-dichlorobenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20Cl2N2O2S2 MolecularWeight: 479.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2S2/c1-2-28-21(27)17-12-16(10-14-6-4-3-5-7-14)30-20(17)26-22(29)25-13-15-8-9-18(23)19(24)11-15/h3-9,11-12H,2,10,13H2,1H3,(H2,25,26,29)