ethyl N-[3-[[(4-oxidanylidene-3H-phthalazin-1-yl)amino]methyl]piperidin-1-yl]carbothioylcarbamate

Systemtic Name: ethyl N-[3-[[(4-oxidanylidene-3H-phthalazin-1-yl)amino]methyl]piperidin-1-yl]carbothioylcarbamate Openeye Name: ethyl N-[3-[[(4-oxo-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carbothioyl]carbamate CAS Name: N-[[3-[[(4-oxo-3H-phthalazin-1-yl)amino]methyl]-1-piperidinyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[(4-oxo-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carbothioyl]carbamate Traditional Name: N-[3-[[(4-keto-3H-phthalazin-1-yl)amino]methyl]piperidine-1-carbothioyl]carbamic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)N1CCCC(C1)CNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)NC(=S)N1CCCC(C1)CNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H23N5O3S/c1-2-26-18(25)20-17(27)23-9-5-6-12(11-23)10-19-15-13-7-3-4-8-14(13)16(24)22-21-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,21)(H,22,24)(H,20,25,27)