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

Systemtic Name: N-phenethyl-2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-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-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-(quinoxalin-2-ylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2S/c31-23(26-12-11-20-7-2-1-3-8-20)18-29-13-6-14-30(16-15-29)25(32)19-33-24-17-27-21-9-4-5-10-22(21)28-24/h1-5,7-10,17H,6,11-16,18-19H2,(H,26,31)