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

Systemtic Name: 1-[3-(5-isoquinolin-5-yloxypentoxy)phenyl]thiourea Openeye Name: [3-[5-(5-isoquinolyloxy)pentoxy]phenyl]thiourea CAS Name: [3-[5-(5-isoquinolinyloxy)pentoxy]phenyl]thiourea IUPAC Name: [3-(5-isoquinolin-5-yloxypentoxy)phenyl]thiourea Traditional Name: [3-[5-(5-isoquinolyloxy)pentoxy]phenyl]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCCOC2=CC=CC3=C2C=CN=C3)NC(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCCOC2=CC=CC3=C2C=CN=C3)NC(=S)N

InChI

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