methyl 4-[[3-[(4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[3-[(4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[3-[(4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3-[[(4-methoxycarbonylanilino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-methoxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-[(4-carbomethoxyphenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O4S2/c1-31-21(29)15-6-10-17(11-7-15)25-23(33)27-19-4-3-5-20(14-19)28-24(34)26-18-12-8-16(9-13-18)22(30)32-2/h3-14H,1-2H3,(H2,25,27,33)(H2,26,28,34)