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

Systemtic Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21ClN2O2S2 MolecularWeight: 444.99734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCC2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

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