(3-tert-butyl-4-phenylmethoxy-phenyl)-(1-methylsulfanylpropan-2-yl)carbamic acid

Systemtic Name: (3-tert-butyl-4-phenylmethoxy-phenyl)-(1-methylsulfanylpropan-2-yl)carbamic acid Openeye Name: (4-benzyloxy-3-tert-butyl-phenyl)-(1-methyl-2-methylsulfanyl-ethyl)carbamic acid CAS Name: (3-tert-butyl-4-phenylmethoxyphenyl)-[1-(methylthio)propan-2-yl]carbamic acid IUPAC Name: (3-tert-butyl-4-phenylmethoxyphenyl)-(1-methylsulfanylpropan-2-yl)carbamic acid Traditional Name: (4-benzoxy-3-tert-butyl-phenyl)-[1-methyl-2-(methylthio)ethyl]carbamic acid Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)N(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(CSC)N(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H29NO3S/c1-16(15-27-5)23(21(24)25)18-11-12-20(19(13-18)22(2,3)4)26-14-17-9-7-6-8-10-17/h6-13,16H,14-15H2,1-5H3,(H,24,25)