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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]benzamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4OS2/c1-25-12-4-5-17(25)13-22-24-20(26)16-10-8-15(9-11-16)14-27-21-23-18-6-2-3-7-19(18)28-21/h2-13H,14H2,1H3,(H,24,26)/b22-13+