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

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[(4-benzyloxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[(4-benzoxyphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O2S/c1-3-25-12-8-13-26(4-2)30(25)33-29(36)22-34-18-9-19-35(21-20-34)31(38)32-27-14-16-28(17-15-27)37-23-24-10-6-5-7-11-24/h5-8,10-17H,3-4,9,18-23H2,1-2H3,(H,32,38)(H,33,36)