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

Systemtic Name: methyl 2-[2-[2-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[2-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[2-(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=C2NC(=S)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2NC(=S)NC3=CC=CC=C3

InChI

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