1-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiourea

Systemtic Name: 1-[[2-(4-butoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiourea Openeye Name: 1-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiourea CAS Name: 1-[[[2-(4-butoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiourea IUPAC Name: 1-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiourea Traditional Name: 1-[[2-(4-butoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiourea Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC

InChI

InChI=1S/C22H24N4O2S/c1-3-4-13-28-16-11-9-15(10-12-16)20-14-18(21(27)25-26-22(29)23-2)17-7-5-6-8-19(17)24-20/h5-12,14H,3-4,13H2,1-2H3,(H,25,27)(H2,23,26,29)