methyl 2-[(4-chlorophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O2S2/c1-12-16(13-6-4-3-5-7-13)17(19(24)25-2)18(27-12)23-20(26)22-15-10-8-14(21)9-11-15/h3-11H,1-2H3,(H2,22,23,26)