methyl 2-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C24H23N3O3S2 MolecularWeight: 465.58772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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