N,N-diethyl-1-(phthalazin-5-ylcarbamothioyl)piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-(phthalazin-5-ylcarbamothioyl)piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-(phthalazin-5-ylcarbamothioyl)piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[(5-phthalazinylamino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-(phthalazin-5-ylcarbamothioyl)piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(phthalazin-5-ylthiocarbamoyl)nipecotamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=CC3=CN=NC=C32

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=CC3=CN=NC=C32

InChI

InChI=1S/C19H25N5OS/c1-3-23(4-2)18(25)15-8-6-10-24(13-15)19(26)22-17-9-5-7-14-11-20-21-12-16(14)17/h5,7,9,11-12,15H,3-4,6,8,10,13H2,1-2H3,(H,22,26)