N-(2,6-dimethylphenyl)-2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinoxalin-2-ylsulfanylethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinoxalin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-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:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H29N5O2S/c1-18-7-5-8-19(2)25(18)28-22(31)16-29-11-6-12-30(14-13-29)24(32)17-33-23-15-26-20-9-3-4-10-21(20)27-23/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3,(H,28,31)