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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N4OS/c1-3-4-7-14-24-23(29)27-26-22(28)19-15-21(17-12-10-16(2)11-13-17)25-20-9-6-5-8-18(19)20/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,26,28)(H2,24,27,29)