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

Systemtic Name: 3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]-4-methyl-benzoic acid Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C26H27N3O4S2/c1-4-23(24(30)28-21-14-17(25(31)32)13-12-16(21)2)35-19-9-7-8-18(15-19)27-26(34)29-20-10-5-6-11-22(20)33-3/h5-15,23H,4H2,1-3H3,(H,28,30)(H,31,32)(H2,27,29,34)