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

Systemtic Name: 4-chloranyl-3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butanoylamino]benzoic acid Formula: C25H24ClN3O4S2 MolecularWeight: 530.05876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O4S2/c1-3-22(23(30)28-20-13-15(24(31)32)11-12-18(20)26)35-17-8-6-7-16(14-17)27-25(34)29-19-9-4-5-10-21(19)33-2/h4-14,22H,3H2,1-2H3,(H,28,30)(H,31,32)(H2,27,29,34)