N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]pyridine-3-carboxamide CAS Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]nicotinamide Formula: C22H18N4O2S2 MolecularWeight: 434.53392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O2S2/c1-28-19-9-8-15(12-24-26-21(27)16-5-4-10-23-13-16)11-17(19)14-29-22-25-18-6-2-3-7-20(18)30-22/h2-13H,14H2,1H3,(H,26,27)/b24-12+