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

Systemtic Name: 1-(3-ethylphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N5O2S/c1-2-11-6-5-7-12(10-11)19-18(26)23-22-17(25)15-13-8-3-4-9-14(13)16(24)21-20-15/h3-10H,2H2,1H3,(H,21,24)(H,22,25)(H2,19,23,26)