(3S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: (3S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: (3S)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: (3S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-methylol-piperidine-1-carbothioamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCCC(C2)CO

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCC[C@@H](C2)CO

InChI

InChI=1S/C18H29N3O3S2/c1-4-21(5-2)26(23,24)16-9-8-14(3)17(11-16)19-18(25)20-10-6-7-15(12-20)13-22/h8-9,11,15,22H,4-7,10,12-13H2,1-3H3,(H,19,25)/t15-/m0/s1