1-(4-chloranyl-2-methoxy-phenyl)hexan-2-ylcarbamothioic S-acid

Systemtic Name: 1-(4-chloranyl-2-methoxy-phenyl)hexan-2-ylcarbamothioic S-acid Openeye Name: 1-[(4-chloro-2-methoxy-phenyl)methyl]pentylcarbamothioic S-acid CAS Name: 1-(4-chloro-2-methoxyphenyl)hexan-2-ylcarbamothioic S-acid IUPAC Name: 1-(4-chloro-2-methoxyphenyl)hexan-2-ylcarbamothioic S-acid Traditional Name: 1-(4-chloro-2-methoxy-benzyl)pentylthiocarbamic S-acid Formula: C14H20ClNO2S MolecularWeight: 301.8321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=C(C=C(C=C1)Cl)OC)NC(=O)S

Isomeric SMILES

CCCCC(CC1=C(C=C(C=C1)Cl)OC)NC(=O)S

InChI

InChI=1S/C14H20ClNO2S/c1-3-4-5-12(16-14(17)19)8-10-6-7-11(15)9-13(10)18-2/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,17,19)