tert-butyl N-[[5-(carbamothioylamino)-2-pyrazol-1-yl-phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[5-(carbamothioylamino)-2-pyrazol-1-yl-phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[5-(carbamothioylamino)-2-pyrazol-1-yl-phenyl]methyl]carbamate CAS Name: N-[[5-(carbamothioylamino)-2-(1-pyrazolyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-(carbamothioylamino)-2-pyrazol-1-ylphenyl]methyl]carbamate Traditional Name: N-(2-pyrazol-1-yl-5-thioureido-benzyl)carbamic acid tert-butyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)NC(=S)N)N2C=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)NC(=S)N)N2C=CC=N2

InChI

InChI=1S/C16H21N5O2S/c1-16(2,3)23-15(22)18-10-11-9-12(20-14(17)24)5-6-13(11)21-8-4-7-19-21/h4-9H,10H2,1-3H3,(H,18,22)(H3,17,20,24)