4-methyl-3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 4-methyl-3-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

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