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

Systemtic Name: methyl 2-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C26H27N3O3S2/c1-4-23(24(30)29-22-11-6-5-10-21(22)25(31)32-3)34-20-9-7-8-19(16-20)28-26(33)27-18-14-12-17(2)13-15-18/h5-16,23H,4H2,1-3H3,(H,29,30)(H2,27,28,33)