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

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-[3-(methylthio)propyl]thiourea Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CSCCCNC(=S)NNC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C14H17N5O2S2/c1-23-8-4-7-15-14(22)19-18-13(21)11-9-5-2-3-6-10(9)12(20)17-16-11/h2-3,5-6H,4,7-8H2,1H3,(H,17,20)(H,18,21)(H2,15,19,22)