N-[(E)-(4-butoxyphenyl)methylideneamino]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[(E)-(4-butoxyphenyl)methyleneamino]propanamide CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[(E)-(4-butoxyphenyl)methylideneamino]propanamide Traditional Name: 2-(benzylthio)-N-[(E)-(4-butoxybenzylidene)amino]propionamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC(=O)C(C)SCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C(C)SCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-3-4-14-25-20-12-10-18(11-13-20)15-22-23-21(24)17(2)26-16-19-8-6-5-7-9-19/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,23,24)/b22-15+