methyl 2-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S2/c1-29-22(28)19-12-5-6-13-20(19)26-21(27)15-31-18-11-7-10-17(14-18)25-23(30)24-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,26,27)(H2,24,25,30)