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

Systemtic Name: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32)Cl)OC

InChI

InChI=1S/C20H22ClN5O3S/c1-28-16-11-17(29-2)15(10-14(16)21)24-20(30)23-9-5-8-22-18-12-6-3-4-7-13(12)19(27)26-25-18/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,22,25)(H,26,27)(H2,23,24,30)