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

Systemtic Name: 1-(2-methoxy-5-phenyl-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-(2-methoxy-5-phenyl-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-(2-methoxy-5-phenylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-(2-methoxy-5-phenylphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(2-methoxy-5-phenyl-phenyl)thiourea Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H25N5O2S/c1-32-22-13-12-18(17-8-3-2-4-9-17)16-21(22)28-25(33)27-15-7-14-26-23-19-10-5-6-11-20(19)24(31)30-29-23/h2-6,8-13,16H,7,14-15H2,1H3,(H,26,29)(H,30,31)(H2,27,28,33)