methyl 5-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylamino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H23N5O4S/c1-13-19(23(32)33-3)14(2)25-20(13)22(31)29-28-21(30)16-10-8-15(9-11-16)12-34-24-26-17-6-4-5-7-18(17)27-24/h4-11,25H,12H2,1-3H3,(H,26,27)(H,28,30)(H,29,31)