1-(3-methylbutyl)-3-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-isoamyl-3-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-14(2)12-13-22-21(29)24-23-19(27)18-16-10-6-7-11-17(16)20(28)26(25-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H2,22,24,29)