ethyl 2-[(3-chlorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3-chlorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(3-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-chlorophenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-chlorobenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O2S2 MolecularWeight: 444.99734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O2S2/c1-2-27-21(26)19-13-18(12-15-7-4-3-5-8-15)29-20(19)25-22(28)24-14-16-9-6-10-17(23)11-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)