N-tert-butyl-2-[4-(phenethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(phenethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(phenethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(phenethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(phenethylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C20H32N4OS MolecularWeight: 376.55928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H32N4OS/c1-20(2,3)22-18(25)16-23-12-7-13-24(15-14-23)19(26)21-11-10-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,26)(H,22,25)