3-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]-1-propan-2-yl-thiourea

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]-1-propan-2-yl-thiourea Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-isopropyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylthiourea IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylthiourea Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-isopropyl-1-[(2-keto-1H-quinolin-4-yl)methyl]thiourea Formula: C21H19ClF3N3OS MolecularWeight: 453.90827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)N(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N3OS/c1-12(2)28(11-13-9-19(29)26-17-6-4-3-5-15(13)17)20(30)27-18-10-14(21(23,24)25)7-8-16(18)22/h3-10,12H,11H2,1-2H3,(H,26,29)(H,27,30)