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

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-methylallyl)-3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-amyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-4-5-8-11-24-18(26)15-10-7-6-9-14(15)16(23-24)17(25)21-22-19(27)20-12-13(2)3/h6-7,9-10H,2,4-5,8,11-12H2,1,3H3,(H,21,25)(H2,20,22,27)