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

Systemtic Name: (5-methylsulfanylthiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-methylsulfanyl-2-thienyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-[5-(methylthio)-2-thiophenyl]methanone IUPAC Name: (5-methylsulfanylthiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-[5-(methylthio)-2-thienyl]methanone Formula: C19H24N2O3S3 MolecularWeight: 424.60046

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(S1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H24N2O3S3/c1-25-18-9-8-17(26-18)19(22)21-11-3-10-20(12-13-21)14-15-4-6-16(7-5-15)27(2,23)24/h4-9H,3,10-14H2,1-2H3