1-(2-methylpropyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(2-methylpropyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-isobutyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(2-methylpropyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(2-methylpropyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-isobutyl-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NCCCNC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)CNC(=S)NCCCNC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H23N5OS/c1-11(2)10-19-16(23)18-9-5-8-17-14-12-6-3-4-7-13(12)15(22)21-20-14/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,20)(H,21,22)(H2,18,19,23)