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

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(3-ethylphenyl)thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-(3-ethylphenyl)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=CC=CC(=C3)CC

Isomeric SMILES

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

InChI

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