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

Systemtic Name: 1-(furan-2-ylmethyl)-3-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Traditional Name: 1-(2-furfuryl)-3-[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Formula: C16H12F3N3O2S MolecularWeight: 367.34559

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=S)NC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

C1=COC(=C1)CNC(=S)NC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C16H12F3N3O2S/c17-16(18,19)12-7-14(23)22-13-4-3-9(6-11(12)13)21-15(25)20-8-10-2-1-5-24-10/h1-7H,8H2,(H,22,23)(H2,20,21,25)