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

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-3-[3-(methylthio)propyl]thiourea Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCSC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCSC

InChI

InChI=1S/C17H23N5O2S2/c1-3-10-22-16(24)13-8-5-4-7-12(13)14(21-22)15(23)19-20-17(25)18-9-6-11-26-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,19,23)(H2,18,20,25)