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

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-[3-(methylthio)propyl]thiourea Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCSC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCSC

InChI

InChI=1S/C18H25N5O2S2/c1-3-4-11-23-17(25)14-9-6-5-8-13(14)15(22-23)16(24)20-21-18(26)19-10-7-12-27-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,20,24)(H2,19,21,26)