1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(p-tolyl)thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-(p-tolyl)thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C

InChI

InChI=1S/C22H25N5O2S/c1-14(2)12-13-27-21(29)18-7-5-4-6-17(18)19(26-27)20(28)24-25-22(30)23-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,24,28)(H2,23,25,30)