1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-methylallyl)thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2-methylallyl)thiourea Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-12(2)9-10-24-18(26)15-8-6-5-7-14(15)16(23-24)17(25)21-22-19(27)20-11-13(3)4/h5-8,12H,3,9-11H2,1-2,4H3,(H,21,25)(H2,20,22,27)