(phenylmethyl) 2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(quinoxalin-2-ylthio)acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c29-23(18-32-22-15-25-20-9-4-5-10-21(20)26-22)28-12-6-11-27(13-14-28)16-24(30)31-17-19-7-2-1-3-8-19/h1-5,7-10,15H,6,11-14,16-18H2