1-butyl-3-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]thiourea

Systemtic Name: 1-butyl-3-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]thiourea Openeye Name: 1-butyl-3-[2-[(7-chloro-4-quinolyl)amino]ethyl]thiourea CAS Name: 1-butyl-3-[2-[(7-chloro-4-quinolinyl)amino]ethyl]thiourea IUPAC Name: 1-butyl-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]thiourea Traditional Name: 1-butyl-3-[2-[(7-chloro-4-quinolyl)amino]ethyl]thiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCCNC1=C2C=CC(=CC2=NC=C1)Cl

Isomeric SMILES

CCCCNC(=S)NCCNC1=C2C=CC(=CC2=NC=C1)Cl

InChI

InChI=1S/C16H21ClN4S/c1-2-3-7-20-16(22)21-10-9-19-14-6-8-18-15-11-12(17)4-5-13(14)15/h4-6,8,11H,2-3,7,9-10H2,1H3,(H,18,19)(H2,20,21,22)