dimethyl 3-[4-[(diphenylmethyl)carbamothioylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(diphenylmethyl)carbamothioylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(benzhydrylcarbamothioylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(benzhydrylcarbamothioylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(benzhydrylthiocarbamoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O4S/c1-31-21(29)13-20(14-22(30)32-2)28-16-19(15-25-28)26-24(33)27-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20,23H,13-14H2,1-2H3,(H2,26,27,33)