2-[(5-chloranyl-2-methoxy-phenyl)methyl]azepane-1-carbothioic S-acid

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methyl]azepane-1-carbothioic S-acid Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methyl]azepane-1-carbothioic S-acid CAS Name: 2-[(5-chloro-2-methoxyphenyl)methyl]-1-azepanecarbothioic S-acid IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methyl]azepane-1-carbothioic S-acid Traditional Name: 2-(5-chloro-2-methoxy-benzyl)azepane-1-carbothioic S-acid Formula: C15H20ClNO2S MolecularWeight: 313.8428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CC2CCCCCN2C(=O)S

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CC2CCCCCN2C(=O)S

InChI

InChI=1S/C15H20ClNO2S/c1-19-14-7-6-12(16)9-11(14)10-13-5-3-2-4-8-17(13)15(18)20/h6-7,9,13H,2-5,8,10H2,1H3,(H,18,20)