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

Systemtic Name: 1-(3-ethylphenyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=CC(=C3)CC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC=CC(=C3)CC

InChI

InChI=1S/C21H23N5O2S/c1-3-12-26-20(28)17-11-6-5-10-16(17)18(25-26)19(27)23-24-21(29)22-15-9-7-8-14(4-2)13-15/h5-11,13H,3-4,12H2,1-2H3,(H,23,27)(H2,22,24,29)