methyl 4-[[4-[(4-methoxycarbonyl-3-oxidanyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[[4-[(4-methoxycarbonyl-3-oxidanyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-4-[[4-[(3-hydroxy-4-methoxycarbonyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate CAS Name: 2-hydroxy-4-[[[4-[[(3-hydroxy-4-methoxycarbonylanilino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[[4-[(3-hydroxy-4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(4-carbomethoxy-3-hydroxy-phenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]-2-hydroxy-benzoic acid methyl ester Formula: C24H22N4O6S2 MolecularWeight: 526.58468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C(=O)OC)O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3)C(=O)OC)O)O

InChI

InChI=1S/C24H22N4O6S2/c1-33-21(31)17-9-7-15(11-19(17)29)27-23(35)25-13-3-5-14(6-4-13)26-24(36)28-16-8-10-18(20(30)12-16)22(32)34-2/h3-12,29-30H,1-2H3,(H2,25,27,35)(H2,26,28,36)