N-phenyl-2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-(quinoxalin-2-ylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c29-21(25-18-7-2-1-3-8-18)16-27-11-6-12-28(14-13-27)23(30)17-31-22-15-24-19-9-4-5-10-20(19)26-22/h1-5,7-10,15H,6,11-14,16-17H2,(H,25,29)