N-[4-[[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-morpholinoethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-morpholinoethylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

InChI

InChI=1S/C21H33N5O2S/c1-18(27)23-20-5-3-19(4-6-20)17-25-8-2-9-26(12-11-25)21(29)22-7-10-24-13-15-28-16-14-24/h3-6H,2,7-17H2,1H3,(H,22,29)(H,23,27)