N,N-diethyl-1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[(1,9-phenanthrolin-5-ylamino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(1,9-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=CC=NC3=C4C=NC=CC4=C2

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=C3C=CC=NC3=C4C=NC=CC4=C2

InChI

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