4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-pyridyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]benzamide Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)/C4=CC=NC=C4

InChI

InChI=1S/C22H18N4OS2/c1-15(17-10-12-23-13-11-17)25-26-21(27)18-8-6-16(7-9-18)14-28-22-24-19-4-2-3-5-20(19)29-22/h2-13H,14H2,1H3,(H,26,27)/b25-15+