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

Systemtic Name: 1-[(3-ethyl-4,5-dimethoxy-phenyl)methyl]-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-[(3-ethyl-4,5-dimethoxy-phenyl)methyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-[(3-ethyl-4,5-dimethoxyphenyl)methyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-[(3-ethyl-4,5-dimethoxyphenyl)methyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-(3-ethyl-4,5-dimethoxy-benzyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)CNC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32)OC)OC

Isomeric SMILES

CCC1=C(C(=CC(=C1)CNC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32)OC)OC

InChI

InChI=1S/C23H29N5O3S/c1-4-16-12-15(13-19(30-2)20(16)31-3)14-26-23(32)25-11-7-10-24-21-17-8-5-6-9-18(17)22(29)28-27-21/h5-6,8-9,12-13H,4,7,10-11,14H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,32)