2-chloranyl-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[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=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

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

InChI

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