2-(phenylmethyl)azepane-1-carbothioic S-acid

Systemtic Name: 2-(phenylmethyl)azepane-1-carbothioic S-acid Openeye Name: 2-benzylazepane-1-carbothioic S-acid CAS Name: 2-(phenylmethyl)-1-azepanecarbothioic S-acid IUPAC Name: 2-benzylazepane-1-carbothioic S-acid Traditional Name: 2-benzylazepane-1-carbothioic S-acid Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)S)CC2=CC=CC=C2

Isomeric SMILES

C1CCC(N(CC1)C(=O)S)CC2=CC=CC=C2

InChI

InChI=1S/C14H19NOS/c16-14(17)15-10-6-2-5-9-13(15)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)