S-propyl N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamothioate

Systemtic Name: S-propyl N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamothioate Openeye Name: S-propyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamothioate CAS Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamothioate Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]thiocarbamic acid S-propyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCSC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O2S/c1-2-10-24-18(23)19-13-7-5-6-12(11-13)16-14-8-3-4-9-15(14)17(22)21-20-16/h3-9,11H,2,10H2,1H3,(H,19,23)(H,21,22)