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

Systemtic Name: 1-(3-methoxyphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]-3-(3-methoxyphenyl)thiourea Formula: C18H14F3N3O2S MolecularWeight: 393.38287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C18H14F3N3O2S/c1-26-12-4-2-3-10(7-12)22-17(27)23-11-5-6-15-13(8-11)14(18(19,20)21)9-16(25)24-15/h2-9H,1H3,(H,24,25)(H2,22,23,27)