1-[3-(5-quinolin-5-yloxypentoxy)phenyl]thiourea

Systemtic Name: 1-[3-(5-quinolin-5-yloxypentoxy)phenyl]thiourea Openeye Name: [3-[5-(5-quinolyloxy)pentoxy]phenyl]thiourea CAS Name: [3-[5-(5-quinolinyloxy)pentoxy]phenyl]thiourea IUPAC Name: [3-(5-quinolin-5-yloxypentoxy)phenyl]thiourea Traditional Name: [3-[5-(5-quinolyloxy)pentoxy]phenyl]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCOC2=CC=CC3=C2C=CC=N3)NC(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCOC2=CC=CC3=C2C=CC=N3)NC(=S)N

InChI

InChI=1S/C21H23N3O2S/c22-21(27)24-16-7-4-8-17(15-16)25-13-2-1-3-14-26-20-11-5-10-19-18(20)9-6-12-23-19/h4-12,15H,1-3,13-14H2,(H3,22,24,27)