1-(4-butylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H21N5O2S/c1-2-3-6-13-9-11-14(12-10-13)21-20(28)25-24-19(27)17-15-7-4-5-8-16(15)18(26)23-22-17/h4-5,7-12H,2-3,6H2,1H3,(H,23,26)(H,24,27)(H2,21,25,28)