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

Systemtic Name: N-phenyl-2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-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-phenylacetamide IUPAC Name: N-phenyl-2-[4-[3-(2-phenylethenylsulfanyl)propanoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[3-(styrylthio)propanoyl]-1,4-diazepan-1-yl]acetamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCSC=CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c28-23(25-22-10-5-2-6-11-22)20-26-14-7-15-27(17-16-26)24(29)13-19-30-18-12-21-8-3-1-4-9-21/h1-6,8-12,18H,7,13-17,19-20H2,(H,25,28)