N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide

Systemtic Name: N-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide Openeye Name: 4-(benzylsulfanylmethyl)-N-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]benzamide CAS Name: N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-[(phenylmethylthio)methyl]benzamide IUPAC Name: 4-(benzylsulfanylmethyl)-N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide Traditional Name: 4-[(benzylthio)methyl]-N-[(E)-(3-bromo-4-methoxy-benzylidene)amino]benzamide Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CSCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)CSCC3=CC=CC=C3)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-28-22-12-9-19(13-21(22)24)14-25-26-23(27)20-10-7-18(8-11-20)16-29-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,26,27)/b25-14+