1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2,5-dimethylphenyl)thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H25N5O2S/c1-4-5-12-27-21(29)17-9-7-6-8-16(17)19(26-27)20(28)24-25-22(30)23-18-13-14(2)10-11-15(18)3/h6-11,13H,4-5,12H2,1-3H3,(H,24,28)(H2,23,25,30)