1-[(3-methoxy-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(3-methoxy-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(3-hydroxy-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(3-hydroxy-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(3-hydroxy-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(3-hydroxy-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NC2=CC=CC=C2C(F)(F)F)C=C(C1=O)O

Isomeric SMILES

COC1=CC(=CNNC(=S)NC2=CC=CC=C2C(F)(F)F)C=C(C1=O)O

InChI

InChI=1S/C16H14F3N3O3S/c1-25-13-7-9(6-12(23)14(13)24)8-20-22-15(26)21-11-5-3-2-4-10(11)16(17,18)19/h2-8,20,23H,1H3,(H2,21,22,26)