methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-methylbenzoate Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O2S2/c1-12-3-4-13(17(22)23-2)11-16(12)21-18(24)20-9-10-25-15-7-5-14(19)6-8-15/h3-8,11H,9-10H2,1-2H3,(H2,20,21,24)