N-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioyl]nonanamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioyl]nonanamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioyl]nonanamide CAS Name: N-[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]nonanamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioyl]nonanamide Traditional Name: N-(vanillylthiocarbamoyl)pelargonamide Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC(=S)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCCCCCC(=O)NC(=S)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C18H28N2O3S/c1-3-4-5-6-7-8-9-17(22)20-18(24)19-13-14-10-11-15(21)16(12-14)23-2/h10-12,21H,3-9,13H2,1-2H3,(H2,19,20,22,24)