4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-veratrylideneamino]benzamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C24H21N3O3S2/c1-29-20-12-9-17(13-21(20)30-2)14-25-27-23(28)18-10-7-16(8-11-18)15-31-24-26-19-5-3-4-6-22(19)32-24/h3-14H,15H2,1-2H3,(H,27,28)/b25-14+