2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(4-benzyl-1,4-diazepan-1-yl)acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS/c1-2-17-28-22-12-7-6-11-21(22)24-23(27)19-26-14-8-13-25(15-16-26)18-20-9-4-3-5-10-20/h2-7,9-12H,1,8,13-19H2,(H,24,27)