1-(3,5-dimethoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(3,5-dimethoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(3,5-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(3,5-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(3,5-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(3,5-dimethoxyphenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C20H23N5O3S/c1-27-14-10-13(11-15(12-14)28-2)23-20(29)22-9-5-8-21-18-16-6-3-4-7-17(16)19(26)25-24-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,29)