N-(2,6-diethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[[2-(methylthio)anilino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[[2-(methylthio)phenyl]thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C25H34N4OS2 MolecularWeight: 470.69366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C25H34N4OS2/c1-4-19-10-8-11-20(5-2)24(19)27-23(30)18-28-14-9-15-29(17-16-28)25(31)26-21-12-6-7-13-22(21)32-3/h6-8,10-13H,4-5,9,14-18H2,1-3H3,(H,26,31)(H,27,30)