1-[(2-methoxyphenyl)methyl]-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiourea Openeye Name: 1-[(2-methoxyphenyl)methyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea CAS Name: 1-[(2-methoxyphenyl)methyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea IUPAC Name: 1-[(2-methoxyphenyl)methyl]-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiourea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-o-anisyl-thiourea Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N5O2S/c1-27-17-10-5-2-7-14(17)13-23-20(28)22-12-6-11-21-18-15-8-3-4-9-16(15)19(26)25-24-18/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,25,26)(H2,22,23,28)