1-pentyl-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-pentyl-3-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiourea Openeye Name: 1-pentyl-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-3-pentylthiourea IUPAC Name: 1-pentyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea Traditional Name: 1-amyl-3-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiourea Formula: C20H22N4OS2 MolecularWeight: 398.54488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H22N4OS2/c1-2-3-6-11-21-20(26)24-23-19(25)15-13-17(18-10-7-12-27-18)22-16-9-5-4-8-14(15)16/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H,23,25)(H2,21,24,26)