4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)propyl]-N-propyl-benzamide

Systemtic Name: 4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)propyl]-N-propyl-benzamide Openeye Name: 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)propyl]-N-propyl-benzamide CAS Name: 4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]propyl]-N-propylbenzamide IUPAC Name: 4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)propyl]-N-propylbenzamide Traditional Name: 4-[3-[2-benzoxy-5-(methylthio)phenyl]propyl]-N-propyl-benzamide Formula: C27H31NO2S MolecularWeight: 433.60554

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO2S/c1-3-18-28-27(29)23-14-12-21(13-15-23)10-7-11-24-19-25(31-2)16-17-26(24)30-20-22-8-5-4-6-9-22/h4-6,8-9,12-17,19H,3,7,10-11,18,20H2,1-2H3,(H,28,29)