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

Systemtic Name: tert-butyl N-[[3-(carbamothioylamino)-2-methyl-6-pyrazol-1-yl-phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-(carbamothioylamino)-2-methyl-6-pyrazol-1-yl-phenyl]methyl]carbamate CAS Name: N-[[3-(carbamothioylamino)-2-methyl-6-(1-pyrazolyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(carbamothioylamino)-2-methyl-6-pyrazol-1-ylphenyl]methyl]carbamate Traditional Name: N-(2-methyl-6-pyrazol-1-yl-3-thioureido-benzyl)carbamic acid tert-butyl ester Formula: C17H23N5O2S MolecularWeight: 361.46182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S/c1-11-12(10-19-16(23)24-17(2,3)4)14(22-9-5-8-20-22)7-6-13(11)21-15(18)25/h5-9H,10H2,1-4H3,(H,19,23)(H3,18,21,25)