N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C16H27N4O2S2+ MolecularWeight: 371.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCC[NH+](CC2)C

InChI

InChI=1S/C16H26N4O2S2/c1-13-6-7-14(24(21,22)18(2)3)12-15(13)17-16(23)20-9-5-8-19(4)10-11-20/h6-7,12H,5,8-11H2,1-4H3,(H,17,23)/p+1