1-(2,5-dimethoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(2,5-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(=C(C=C1)OC)NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

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

InChI

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