1-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[(4-fluoro-3-nitro-benzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[(4-fluoro-3-nitrobenzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[(4-fluoro-3-nitro-benzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C16H23FN4O3S MolecularWeight: 370.442223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C16H23FN4O3S/c1-3-4-5-6-11(2)10-18-16(25)20-19-15(22)12-7-8-13(17)14(9-12)21(23)24/h7-9,11H,3-6,10H2,1-2H3,(H,19,22)(H2,18,20,25)/t11-/m0/s1