(3-chlorophenyl)-(2-methyl-3-sulfanyl-hexan-3-yl)carbamic acid

Systemtic Name: (3-chlorophenyl)-(2-methyl-3-sulfanyl-hexan-3-yl)carbamic acid Openeye Name: (3-chlorophenyl)-(1-isopropyl-1-sulfanyl-butyl)carbamic acid CAS Name: (3-chlorophenyl)-(3-mercapto-2-methylhexan-3-yl)carbamic acid IUPAC Name: (3-chlorophenyl)-(2-methyl-3-sulfanylhexan-3-yl)carbamic acid Traditional Name: (3-chlorophenyl)-(1-isopropyl-1-mercapto-butyl)carbamic acid Formula: C14H20ClNO2S MolecularWeight: 301.8321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C)(N(C1=CC(=CC=C1)Cl)C(=O)O)S

Isomeric SMILES

CCCC(C(C)C)(N(C1=CC(=CC=C1)Cl)C(=O)O)S

InChI

InChI=1S/C14H20ClNO2S/c1-4-8-14(19,10(2)3)16(13(17)18)12-7-5-6-11(15)9-12/h5-7,9-10,19H,4,8H2,1-3H3,(H,17,18)