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

Systemtic Name: 3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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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=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C24H23N3O4S2/c1-15-10-11-16(23(29)30)12-20(15)26-22(28)14-33-18-7-5-6-17(13-18)25-24(32)27-19-8-3-4-9-21(19)31-2/h3-13H,14H2,1-2H3,(H,26,28)(H,29,30)(H2,25,27,32)