methyl 4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]carbamoyl]benzoate CAS Name: 4-[[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H20N4O4S/c1-32-23(31)18-12-10-17(11-13-18)22(30)28-27-21(29)16-8-6-15(7-9-16)14-33-24-25-19-4-2-3-5-20(19)26-24/h2-13H,14H2,1H3,(H,25,26)(H,27,29)(H,28,30)