ethyl 4-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylcarbamothioylamino]benzoate Traditional Name: 4-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S/c1-3-33-26(32)21-13-15-23(16-14-21)29-27(34)28-17-22-18-31(24-7-5-4-6-8-24)30-25(22)20-11-9-19(2)10-12-20/h4-16,18H,3,17H2,1-2H3,(H2,28,29,34)