ethyl 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]butanoate

Systemtic Name: ethyl 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]butanoate Openeye Name: ethyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]butanoate CAS Name: 4-[[[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamothioylamino]butanoate Traditional Name: 4-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylthiocarbamoylamino]butyric acid ethyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NCCCNC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CCCNC(=S)NCCCNC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C18H25N5O3S/c1-2-26-15(24)9-5-10-20-18(27)21-12-6-11-19-16-13-7-3-4-8-14(13)17(25)23-22-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,22)(H,23,25)(H2,20,21,27)