N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-4-methyl-1,4-diazepane-1-carbothioamide Formula: C18H30N4O2S2 MolecularWeight: 398.5864

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCCN(CC2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCCN(CC2)C

InChI

InChI=1S/C18H30N4O2S2/c1-5-22(6-2)26(23,24)16-9-8-15(3)17(14-16)19-18(25)21-11-7-10-20(4)12-13-21/h8-9,14H,5-7,10-13H2,1-4H3,(H,19,25)