methyl 4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-3-11-23-17(26)13-8-5-4-7-12(13)15(22-23)16(25)20-21-18(28)19-10-6-9-14(24)27-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,25)(H2,19,21,28)