ethyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H26N4O3S2/c1-4-33-25(32)21-16-20(15-18-11-7-5-8-12-18)35-23(21)28-26(34)27-22-17(2)29(3)30(24(22)31)19-13-9-6-10-14-19/h5-14,16H,4,15H2,1-3H3,(H2,27,28,34)