N-[1-(4-methyl-3-oxidanyl-phenyl)butan-2-yl]-1-phenylsulfanyl-cyclopropane-1-carboxamide

Systemtic Name: N-[1-(4-methyl-3-oxidanyl-phenyl)butan-2-yl]-1-phenylsulfanyl-cyclopropane-1-carboxamide Openeye Name: N-[1-[(3-hydroxy-4-methyl-phenyl)methyl]propyl]-1-phenylsulfanyl-cyclopropanecarboxamide CAS Name: N-[1-(3-hydroxy-4-methylphenyl)butan-2-yl]-1-(phenylthio)-1-cyclopropanecarboxamide IUPAC Name: N-[1-(3-hydroxy-4-methylphenyl)butan-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide Traditional Name: N-[1-(3-hydroxy-4-methyl-benzyl)propyl]-1-(phenylthio)cyclopropanecarboxamide Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)C)O)NC(=O)C2(CC2)SC3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)C)O)NC(=O)C2(CC2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-3-17(13-16-10-9-15(2)19(23)14-16)22-20(24)21(11-12-21)25-18-7-5-4-6-8-18/h4-10,14,17,23H,3,11-13H2,1-2H3,(H,22,24)