ethyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate Openeye Name: ethyl 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylate Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzimidazole-1-carboxylic acid ethyl ester Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(CCCC2)N=C1NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)N1C2=C(CCCC2)N=C1NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H26N6O3S/c1-4-31-22(30)27-17-13-9-8-12-16(17)23-20(27)25-21(32)24-18-14(2)26(3)28(19(18)29)15-10-6-5-7-11-15/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H2,23,24,25,32)