N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-7-propan-2-ylsulfanyl-heptanamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-7-propan-2-ylsulfanyl-heptanamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-isopropylsulfanyl-heptanamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-(propan-2-ylthio)heptanamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-propan-2-ylsulfanylheptanamide Traditional Name: 7-(isopropylthio)-N-vanillyl-enanthamide Formula: C18H29NO3S MolecularWeight: 339.49276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CC(C)SCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C18H29NO3S/c1-14(2)23-11-7-5-4-6-8-18(21)19-13-15-9-10-16(20)17(12-15)22-3/h9-10,12,14,20H,4-8,11,13H2,1-3H3,(H,19,21)