1-[3-(5-quinolin-4-yloxypentoxy)phenyl]thiourea

Systemtic Name: 1-[3-(5-quinolin-4-yloxypentoxy)phenyl]thiourea Openeye Name: [3-[5-(4-quinolyloxy)pentoxy]phenyl]thiourea CAS Name: [3-[5-(4-quinolinyloxy)pentoxy]phenyl]thiourea IUPAC Name: [3-(5-quinolin-4-yloxypentoxy)phenyl]thiourea Traditional Name: [3-[5-(4-quinolyloxy)pentoxy]phenyl]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)OCCCCCOC3=CC=CC(=C3)NC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)OCCCCCOC3=CC=CC(=C3)NC(=S)N

InChI

InChI=1S/C21H23N3O2S/c22-21(27)24-16-7-6-8-17(15-16)25-13-4-1-5-14-26-20-11-12-23-19-10-3-2-9-18(19)20/h2-3,6-12,15H,1,4-5,13-14H2,(H3,22,24,27)