1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-(3-phenylmethoxyphenyl)thiourea

Systemtic Name: 1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-(3-phenylmethoxyphenyl)thiourea Openeye Name: 1-(3-benzyloxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(3-phenylmethoxyphenyl)thiourea IUPAC Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(3-phenylmethoxyphenyl)thiourea Traditional Name: 1-(3-benzoxyphenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]thiourea Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H25N5O2S/c31-24-22-13-5-4-12-21(22)23(29-30-24)26-14-7-15-27-25(33)28-19-10-6-11-20(16-19)32-17-18-8-2-1-3-9-18/h1-6,8-13,16H,7,14-15,17H2,(H,26,29)(H,30,31)(H2,27,28,33)