methyl 2-[(2-chlorophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chlorophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chlorophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chlorophenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN2O2S2/c1-25-19(24)15-11-17(13-7-3-2-4-8-13)27-18(15)23-20(26)22-12-14-9-5-6-10-16(14)21/h2-11H,12H2,1H3,(H2,22,23,26)