1-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea CAS Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C21H18F3N3OS/c1-2-9-25-20(29)26-15-6-3-13(4-7-15)10-14-5-8-18-16(11-14)17(21(22,23)24)12-19(28)27-18/h2-8,11-12H,1,9-10H2,(H,27,28)(H2,25,26,29)