1-(2,6-dimethylphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N5OS/c1-13-7-5-8-14(2)17(13)23-20(27)22-12-6-11-21-18-15-9-3-4-10-16(15)19(26)25-24-18/h3-5,7-10H,6,11-12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)