N-[4-[[4-[(3-ethylphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[(3-ethylphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(3-ethylphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-ethylanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(3-ethylphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[(3-ethylphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H30N4OS/c1-3-19-6-4-7-22(16-19)25-23(29)27-13-5-12-26(14-15-27)17-20-8-10-21(11-9-20)24-18(2)28/h4,6-11,16H,3,5,12-15,17H2,1-2H3,(H,24,28)(H,25,29)