3-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H25N3O4S2/c1-15-7-8-19(25(32)33)13-23(15)29-24(31)17(3)35-22-6-4-5-21(14-22)28-26(34)27-20-11-9-18(10-12-20)16(2)30/h4-14,17H,1-3H3,(H,29,31)(H,32,33)(H2,27,28,34)