N,N-diethyl-1-(1,7-phenanthrolin-6-ylcarbamothioyl)piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-(1,7-phenanthrolin-6-ylcarbamothioyl)piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-(1,7-phenanthrolin-6-ylcarbamothioyl)piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[(1,7-phenanthrolin-6-ylamino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-(1,7-phenanthrolin-6-ylcarbamothioyl)piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(1,7-phenanthrolin-6-ylthiocarbamoyl)nipecotamide Formula: C23H27N5OS MolecularWeight: 421.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C3C(=C4C(=C2)C=CC=N4)C=CC=N3

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C3C(=C4C(=C2)C=CC=N4)C=CC=N3

InChI

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