2-methyl-3-oxidanyl-5-(phenylsulfanylmethyl)-4-propyl-benzamide

Systemtic Name: 2-methyl-3-oxidanyl-5-(phenylsulfanylmethyl)-4-propyl-benzamide Openeye Name: 3-hydroxy-2-methyl-5-(phenylsulfanylmethyl)-4-propyl-benzamide CAS Name: 3-hydroxy-2-methyl-5-[(phenylthio)methyl]-4-propylbenzamide IUPAC Name: 3-hydroxy-2-methyl-5-(phenylsulfanylmethyl)-4-propylbenzamide Traditional Name: 3-hydroxy-2-methyl-5-[(phenylthio)methyl]-4-propyl-benzamide Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1O)C)C(=O)N)CSC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C=C(C(=C1O)C)C(=O)N)CSC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2S/c1-3-7-15-13(11-22-14-8-5-4-6-9-14)10-16(18(19)21)12(2)17(15)20/h4-6,8-10,20H,3,7,11H2,1-2H3,(H2,19,21)