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

Systemtic Name: 1-[(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[[2,3-bis(2-thienyl)quinoxalin-6-yl]carbamothioyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[[(2,3-dithiophen-2-yl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamothioyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[[2,3-bis(2-thienyl)quinoxalin-6-yl]thiocarbamoyl]-N,N-diethyl-nipecotamide Formula: C27H29N5OS3 MolecularWeight: 535.74706

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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)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C27H29N5OS3/c1-3-31(4-2)26(33)18-8-5-13-32(17-18)27(34)28-19-11-12-20-21(16-19)30-25(23-10-7-15-36-23)24(29-20)22-9-6-14-35-22/h6-7,9-12,14-16,18H,3-5,8,13,17H2,1-2H3,(H,28,34)