1-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(4-methyl-3-nitro-benzoyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(4-methyl-3-nitrobenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(4-methyl-3-nitro-benzoyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H13F3N4O3S MolecularWeight: 398.35963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N4O3S/c1-9-6-7-10(8-13(9)23(25)26)14(24)21-22-15(27)20-12-5-3-2-4-11(12)16(17,18)19/h2-8H,1H3,(H,21,24)(H2,20,22,27)