methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]propanoate

Systemtic Name: methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]propanoate Openeye Name: methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]propanoate CAS Name: 3-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]propanoate Traditional Name: 3-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]propionic acid methyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCNC(=S)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-27-19(26)12-13-22-21(28)23-14-17-15-25(18-10-6-3-7-11-18)24-20(17)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H2,22,23,28)