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

Systemtic Name: 1-[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(2-oxolanylmethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea IUPAC Name: 1-(oxolan-2-ylmethyl)-3-[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]-3-(tetrahydrofurfuryl)thiourea Formula: C16H16F3N3O2S MolecularWeight: 371.37735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2S/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/h3-4,6-7,10H,1-2,5,8H2,(H,22,23)(H2,20,21,25)