4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O3S2/c1-15(17-10-12-19(13-11-17)27(29)30)25-26-22(28)18-8-6-16(7-9-18)14-31-23-24-20-4-2-3-5-21(20)32-23/h2-13H,14H2,1H3,(H,26,28)/b25-15+