2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-N-[(3,4,5-triethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-N-[(3,4,5-triethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(3,4,5-triethoxyphenyl)methyl]acetamide CAS Name: 2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]-N-[(3,4,5-triethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(3,4,5-triethoxyphenyl)methyl]acetamide Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-N-(3,4,5-triethoxybenzyl)acetamide Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4S/c1-4-35-26-17-22(18-27(36-5-2)29(26)37-6-3)19-31-28(34)20-38-30-25(16-21-12-8-7-9-13-21)32-23-14-10-11-15-24(23)33-30/h7-15,17-18H,4-6,16,19-20H2,1-3H3,(H,31,34)