1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

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