tert-butyl N-[[2-methyl-3-(phenylcarbonylcarbamothioylamino)-6-pyrazol-1-yl-phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-methyl-3-(phenylcarbonylcarbamothioylamino)-6-pyrazol-1-yl-phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-(benzoylcarbamothioylamino)-2-methyl-6-pyrazol-1-yl-phenyl]methyl]carbamate CAS Name: N-[[3-[[benzamido(sulfanylidene)methyl]amino]-2-methyl-6-(1-pyrazolyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(benzoylcarbamothioylamino)-2-methyl-6-pyrazol-1-ylphenyl]methyl]carbamate Traditional Name: N-[3-(benzoylthiocarbamoylamino)-2-methyl-6-pyrazol-1-yl-benzyl]carbamic acid tert-butyl ester Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CNC(=O)OC(C)(C)C)N2C=CC=N2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1CNC(=O)OC(C)(C)C)N2C=CC=N2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N5O3S/c1-16-18(15-25-23(31)32-24(2,3)4)20(29-14-8-13-26-29)12-11-19(16)27-22(33)28-21(30)17-9-6-5-7-10-17/h5-14H,15H2,1-4H3,(H,25,31)(H2,27,28,30,33)