1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-methylsulfanyl-2-thienyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylsulfanylthiophen-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepane Formula: C19H26N2O2S3 MolecularWeight: 410.61694

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(S1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H26N2O2S3/c1-24-19-9-6-17(25-19)15-21-11-3-10-20(12-13-21)14-16-4-7-18(8-5-16)26(2,22)23/h4-9H,3,10-15H2,1-2H3