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

Systemtic Name: N-phenyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-phenyl-2-[4-[sulfanylidene-[(3,4,5-trimethoxyphenyl)methylamino]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-phenyl-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[(3,4,5-trimethoxybenzyl)thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O4S/c1-30-20-14-18(15-21(31-2)23(20)32-3)16-25-24(33)28-11-7-10-27(12-13-28)17-22(29)26-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13,16-17H2,1-3H3,(H,25,33)(H,26,29)