S-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(3-chloro-4-isopropoxy-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(3-chloro-4-propan-2-yloxyphenyl)methyl] ester IUPAC Name: S-[(3-chloro-4-propan-2-yloxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(3-chloro-4-isopropoxy-benzyl) ester Formula: C17H24ClNO2S MolecularWeight: 341.89596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CSC(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CSC(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C17H24ClNO2S/c1-13(2)21-16-8-7-14(11-15(16)18)12-22-17(20)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10,12H2,1-2H3