N-phenethyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-phenethyl-2-[4-[sulfanylidene-[(3,4,5-trimethoxyphenyl)methylamino]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-phenethyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[(3,4,5-trimethoxybenzyl)thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O4S/c1-32-22-16-21(17-23(33-2)25(22)34-3)18-28-26(35)30-13-7-12-29(14-15-30)19-24(31)27-11-10-20-8-5-4-6-9-20/h4-6,8-9,16-17H,7,10-15,18-19H2,1-3H3,(H,27,31)(H,28,35)