methyl 2-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H23N3O3S2/c1-16-10-12-17(13-11-16)25-24(31)26-18-6-5-7-19(14-18)32-15-22(28)27-21-9-4-3-8-20(21)23(29)30-2/h3-14H,15H2,1-2H3,(H,27,28)(H2,25,26,31)