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

Systemtic Name: methyl 2-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S2/c1-16-11-13-18(14-12-16)26-25(32)27-19-7-6-8-20(15-19)33-17(2)23(29)28-22-10-5-4-9-21(22)24(30)31-3/h4-15,17H,1-3H3,(H,28,29)(H2,26,27,32)