1-[(4-ethylsulfanylphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(ethylthio)phenyl]methyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-benzyl-4-[4-(ethylthio)benzyl]-1,4-diazepane Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2S/c1-2-24-21-11-9-20(10-12-21)18-23-14-6-13-22(15-16-23)17-19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-18H2,1H3