2-[(3-chloranyl-4-methoxy-phenyl)methyl]azepane-1-carbothioic S-acid

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methyl]azepane-1-carbothioic S-acid Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methyl]azepane-1-carbothioic S-acid CAS Name: 2-[(3-chloro-4-methoxyphenyl)methyl]-1-azepanecarbothioic S-acid IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methyl]azepane-1-carbothioic S-acid Traditional Name: 2-(3-chloro-4-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)CC2CCCCCN2C(=O)S)Cl

Isomeric SMILES

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

InChI

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