3,6-dimethylazepane-1-carbothioic S-acid

Systemtic Name: 3,6-dimethylazepane-1-carbothioic S-acid Openeye Name: 3,6-dimethylazepane-1-carbothioic S-acid CAS Name: 3,6-dimethyl-1-azepanecarbothioic S-acid IUPAC Name: 3,6-dimethylazepane-1-carbothioic S-acid Traditional Name: 3,6-dimethylazepane-1-carbothioic S-acid Formula: C9H17NOS MolecularWeight: 187.30238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CN(C1)C(=O)S)C

Isomeric SMILES

CC1CCC(CN(C1)C(=O)S)C

InChI

InChI=1S/C9H17NOS/c1-7-3-4-8(2)6-10(5-7)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)