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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CO3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H23N5O3S/c1-2-3-6-11-25-19(27)16-10-5-4-9-15(16)17(24-25)18(26)22-23-20(29)21-13-14-8-7-12-28-14/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,22,26)(H2,21,23,29)