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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S2/c1-3-4-7-12-24-18(26)15-10-6-5-9-14(15)16(23-24)17(25)21-22-19(27)20-11-8-13-28-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,21,25)(H2,20,22,27)