1-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-3-isoamyl-thiourea Formula: C19H26N6O3S MolecularWeight: 418.51314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCCC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCCC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3S/c1-12(2)9-10-20-19(29)22-21-18(26)16-7-5-15(6-8-16)11-24-14(4)17(25(27)28)13(3)23-24/h5-8,12H,9-11H2,1-4H3,(H,21,26)(H2,20,22,29)