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

Systemtic Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C17H15F3N4O4S MolecularWeight: 428.38561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N4O4S/c1-10-6-7-14(13(8-10)24(26)27)28-9-15(25)22-23-16(29)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,22,25)(H2,21,23,29)