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

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O2S3 MolecularWeight: 463.03576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H19ClN2O2S3/c1-3-14-12-16(20(25)26-2)19(29-14)24-21(27)23-17-6-4-5-7-18(17)28-15-10-8-13(22)9-11-15/h4-12H,3H2,1-2H3,(H2,23,24,27)