methyl N-[4-[(2-chlorophenyl)-oxidanyl-methyl]-2-(3-phenylmethoxyphenyl)sulfanyl-heptan-4-yl]carbamate

Systemtic Name: methyl N-[4-[(2-chlorophenyl)-oxidanyl-methyl]-2-(3-phenylmethoxyphenyl)sulfanyl-heptan-4-yl]carbamate Openeye Name: methyl N-[3-(3-benzyloxyphenyl)sulfanyl-1-[(2-chlorophenyl)-hydroxy-methyl]-1-propyl-butyl]carbamate CAS Name: N-[4-[(2-chlorophenyl)-hydroxymethyl]-2-[(3-phenylmethoxyphenyl)thio]heptan-4-yl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[(2-chlorophenyl)-hydroxymethyl]-2-(3-phenylmethoxyphenyl)sulfanylheptan-4-yl]carbamate Traditional Name: N-[3-[(3-benzoxyphenyl)thio]-1-[(2-chlorophenyl)-hydroxy-methyl]-1-propyl-butyl]carbamic acid methyl ester Formula: C29H34ClNO4S MolecularWeight: 528.10256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34ClNO4S/c1-4-17-29(31-28(33)34-3,27(32)25-15-8-9-16-26(25)30)19-21(2)36-24-14-10-13-23(18-24)35-20-22-11-6-5-7-12-22/h5-16,18,21,27,32H,4,17,19-20H2,1-3H3,(H,31,33)