N-phenethyl-2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-(3-styrylsulfanylpropanoyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-3-(2-phenylethenylthio)propyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[3-(styrylthio)propanoyl]-1,4-diazepan-1-yl]acetamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O2S/c30-25(27-15-12-23-8-3-1-4-9-23)22-28-16-7-17-29(19-18-28)26(31)14-21-32-20-13-24-10-5-2-6-11-24/h1-6,8-11,13,20H,7,12,14-19,21-22H2,(H,27,30)