1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[[(2,3-dimethyl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[(2,3-dimethylquinoxalin-6-yl)thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C)C

InChI

InChI=1S/C21H29N5OS/c1-5-25(6-2)20(27)16-8-7-11-26(13-16)21(28)24-17-9-10-18-19(12-17)23-15(4)14(3)22-18/h9-10,12,16H,5-8,11,13H2,1-4H3,(H,24,28)