N,N-diethyl-1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[(4,7-phenanthrolin-5-ylamino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(4,7-phenanthrolin-5-ylthiocarbamoyl)nipecotamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

InChI

InChI=1S/C23H27N5OS/c1-3-27(4-2)22(29)16-8-7-13-28(15-16)23(30)26-20-14-19-17(9-5-11-24-19)18-10-6-12-25-21(18)20/h5-6,9-12,14,16H,3-4,7-8,13,15H2,1-2H3,(H,26,30)