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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

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