1-(3-methylbutyl)-3-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiourea Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C23H26N4OS/c1-15(2)12-13-24-23(29)27-26-22(28)19-14-21(17-10-8-16(3)9-11-17)25-20-7-5-4-6-18(19)20/h4-11,14-15H,12-13H2,1-3H3,(H,26,28)(H2,24,27,29)