1-(3-azanylpropyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride

Systemtic Name: 1-(3-azanylpropyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride Openeye Name: 1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride CAS Name: 1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride IUPAC Name: 1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride Traditional Name: 1-(3-aminopropyl)-3-[3-(4-keto-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride Formula: C18H20ClN5OS MolecularWeight: 389.9023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=S)NCCCN.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=S)NCCCN.Cl

InChI

InChI=1S/C18H19N5OS.ClH/c19-9-4-10-20-18(25)21-13-6-3-5-12(11-13)16-14-7-1-2-8-15(14)17(24)23-22-16;/h1-3,5-8,11H,4,9-10,19H2,(H,23,24)(H2,20,21,25);1H