butyl N-[3-[(2-chlorophenyl)-oxidanyl-methyl]-5-(3-phenylmethoxyphenyl)sulfanyl-hexan-3-yl]carbamate

Systemtic Name: butyl N-[3-[(2-chlorophenyl)-oxidanyl-methyl]-5-(3-phenylmethoxyphenyl)sulfanyl-hexan-3-yl]carbamate Openeye Name: butyl N-[3-(3-benzyloxyphenyl)sulfanyl-1-[(2-chlorophenyl)-hydroxy-methyl]-1-ethyl-butyl]carbamate CAS Name: N-[3-[(2-chlorophenyl)-hydroxymethyl]-5-[(3-phenylmethoxyphenyl)thio]hexan-3-yl]carbamic acid butyl ester IUPAC Name: butyl N-[3-[(2-chlorophenyl)-hydroxymethyl]-5-(3-phenylmethoxyphenyl)sulfanylhexan-3-yl]carbamate Traditional Name: N-[3-[(3-benzoxyphenyl)thio]-1-[(2-chlorophenyl)-hydroxy-methyl]-1-ethyl-butyl]carbamic acid butyl ester Formula: C31H38ClNO4S MolecularWeight: 556.15572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC)(CC(C)SC1=CC=CC(=C1)OCC2=CC=CC=C2)C(C3=CC=CC=C3Cl)O

Isomeric SMILES

CCCCOC(=O)NC(CC)(CC(C)SC1=CC=CC(=C1)OCC2=CC=CC=C2)C(C3=CC=CC=C3Cl)O

InChI

InChI=1S/C31H38ClNO4S/c1-4-6-19-36-30(35)33-31(5-2,29(34)27-17-10-11-18-28(27)32)21-23(3)38-26-16-12-15-25(20-26)37-22-24-13-8-7-9-14-24/h7-18,20,23,29,34H,4-6,19,21-22H2,1-3H3,(H,33,35)