1-(4-nitrophenyl)-3-[[2-oxidanylidene-5-(trifluoromethyloxy)indol-3-yl]amino]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[[2-oxidanylidene-5-(trifluoromethyloxy)indol-3-yl]amino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[2-oxo-5-(trifluoromethoxy)indol-3-yl]amino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[2-oxo-5-(trifluoromethoxy)-3-indolyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[[2-oxo-5-(trifluoromethoxy)indol-3-yl]amino]thiourea Traditional Name: 1-[[2-keto-5-(trifluoromethoxy)indol-3-yl]amino]-3-(4-nitrophenyl)thiourea Formula: C16H10F3N5O4S MolecularWeight: 425.34191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC2=C3C=C(C=CC3=NC2=O)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC2=C3C=C(C=CC3=NC2=O)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3N5O4S/c17-16(18,19)28-10-5-6-12-11(7-10)13(14(25)21-12)22-23-15(29)20-8-1-3-9(4-2-8)24(26)27/h1-7H,(H2,20,23,29)(H,21,22,25)