1-(2-methoxyethyl)-3-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea

Systemtic Name: 1-(2-methoxyethyl)-3-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea CAS Name: 1-(2-methoxyethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]-3-(2-methoxyethyl)thiourea Formula: C14H14F3N3O2S MolecularWeight: 345.34007

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NC1=CC2=C(C=C1)NC(=O)C=C2C(F)(F)F

Isomeric SMILES

COCCNC(=S)NC1=CC2=C(C=C1)NC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C14H14F3N3O2S/c1-22-5-4-18-13(23)19-8-2-3-11-9(6-8)10(14(15,16)17)7-12(21)20-11/h2-3,6-7H,4-5H2,1H3,(H,20,21)(H2,18,19,23)