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

Systemtic Name: 1-(3-azanylpropyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea Openeye Name: 1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea CAS Name: 1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea IUPAC Name: 1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea Traditional Name: 1-(3-aminopropyl)-3-[3-(4-keto-3H-phthalazin-1-yl)phenyl]thiourea Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS/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)