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

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26ClN3O3S3 MolecularWeight: 548.14024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C25H26ClN3O3S3/c1-5-29(6-2)23(30)21-15(3)20(24(31)32-4)22(35-21)28-25(33)27-18-9-7-8-10-19(18)34-17-13-11-16(26)12-14-17/h7-14H,5-6H2,1-4H3,(H2,27,28,33)