N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2,5-dimethylanilino)-sulfanylidenemethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)carbamothioyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2,5-dimethylphenyl)thiocarbamoyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H33N4OS+ MolecularWeight: 377.56722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H32N4OS/c1-15-7-8-16(2)17(13-15)21-19(26)24-10-6-9-23(11-12-24)14-18(25)22-20(3,4)5/h7-8,13H,6,9-12,14H2,1-5H3,(H,21,26)(H,22,25)/p+1