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

Systemtic Name: N-tert-butyl-2-[4-[(4-propan-2-ylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-isopropylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-propan-2-ylanilino)-sulfanylidenemethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-propan-2-ylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(p-cumenylthiocarbamoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H35N4OS+ MolecularWeight: 391.5938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H34N4OS/c1-16(2)17-7-9-18(10-8-17)22-20(27)25-12-6-11-24(13-14-25)15-19(26)23-21(3,4)5/h7-10,16H,6,11-15H2,1-5H3,(H,22,27)(H,23,26)/p+1