1-(furan-2-ylmethyl)-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-(2-furylmethyl)-3-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-furanylmethyl)-3-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-(2-furfuryl)-3-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CO3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H23N5O3S/c1-13(2)9-10-25-19(27)16-8-4-3-7-15(16)17(24-25)18(26)22-23-20(29)21-12-14-6-5-11-28-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,26)(H2,21,23,29)