1-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[(4-fluoro-3-nitro-benzoyl)amino]-3-isopentyl-thiourea CAS Name: 1-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(4-fluoro-3-nitrobenzoyl)amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[(4-fluoro-3-nitro-benzoyl)amino]-3-isoamyl-thiourea Formula: C13H17FN4O3S MolecularWeight: 328.362483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C13H17FN4O3S/c1-8(2)5-6-15-13(22)17-16-12(19)9-3-4-10(14)11(7-9)18(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H2,15,17,22)