1-(azepan-1-yl)-2-(3-phenylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3-phenylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-phenylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(3-phenyl-2-quinoxalinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-phenylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(3-phenylquinoxalin-2-yl)thio]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c26-20(25-14-8-1-2-9-15-25)16-27-22-21(17-10-4-3-5-11-17)23-18-12-6-7-13-19(18)24-22/h3-7,10-13H,1-2,8-9,14-16H2