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

Systemtic Name: 2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-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-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-(styrylthio)propanoyl]-1,4-diazepan-1-yl]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2S/c29-24(26-20-23-10-5-2-6-11-23)21-27-14-7-15-28(17-16-27)25(30)13-19-31-18-12-22-8-3-1-4-9-22/h1-6,8-12,18H,7,13-17,19-21H2,(H,26,29)