1-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-phenethyl-thiourea Openeye Name: 1-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-3-phenethyl-thiourea CAS Name: 1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-phenethylthiourea Traditional Name: 1-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-3-phenethyl-thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-2-25-19(27)16-11-7-6-10-15(16)17(24-25)18(26)22-23-20(28)21-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,22,26)(H2,21,23,28)