1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N5O4S/c1-26-20(28)15-7-5-4-6-14(15)18(25-26)19(27)23-24-21(31)22-11-10-13-8-9-16(29-2)17(12-13)30-3/h4-9,12H,10-11H2,1-3H3,(H,23,27)(H2,22,24,31)