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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(3-pyridyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(3-pyridinyl)ethylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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