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

Systemtic Name: N-tert-butyl-2-[4-(cyclohexylcarbamothioyl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(cyclohexylcarbamothioyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(cyclohexylamino)-sulfanylidenemethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(cyclohexylcarbamothioyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(cyclohexylthiocarbamoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H35N4OS+ MolecularWeight: 355.5617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=S)NC2CCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=S)NC2CCCCC2

InChI

InChI=1S/C18H34N4OS/c1-18(2,3)20-16(23)14-21-10-7-11-22(13-12-21)17(24)19-15-8-5-4-6-9-15/h15H,4-14H2,1-3H3,(H,19,24)(H,20,23)/p+1