1-(3,4-dimethylphenyl)-3-[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[2-(4-fluorophenyl)quinolin-4-yl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H21FN4OS/c1-15-7-12-19(13-16(15)2)27-25(32)30-29-24(31)21-14-23(17-8-10-18(26)11-9-17)28-22-6-4-3-5-20(21)22/h3-14H,1-2H3,(H,29,31)(H2,27,30,32)