ethyl 4-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O2S/c1-2-32-25(31)20-13-15-22(16-14-20)28-26(33)27-17-21-18-30(23-11-7-4-8-12-23)29-24(21)19-9-5-3-6-10-19/h3-16,18H,2,17H2,1H3,(H2,27,28,33)