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

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-[3-(methylthio)propyl]thiourea Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCSC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCSC

InChI

InChI=1S/C19H27N5O2S2/c1-13(2)9-11-24-18(26)15-8-5-4-7-14(15)16(23-24)17(25)21-22-19(27)20-10-6-12-28-3/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,25)(H2,20,22,27)