methyl 4-methyl-3-(2-phenylsulfanylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-phenylsulfanylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-methyl-3-(2-phenylsulfanylethylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(2-phenylsulfanylethylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-[2-(phenylthio)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S2/c1-13-8-9-14(17(21)22-2)12-16(13)20-18(23)19-10-11-24-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23)