ethyl 4-[[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-ethyl-2-methyl-benzimidazole-5-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C21H23N5O3S/c1-4-26-13(3)22-17-12-15(8-11-18(17)26)19(27)24-25-21(30)23-16-9-6-14(7-10-16)20(28)29-5-2/h6-12H,4-5H2,1-3H3,(H,24,27)(H2,23,25,30)