4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(4-chloranyl-3-nitro-phenyl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(4-chloranyl-3-nitro-phenyl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(4-chloro-3-nitro-phenyl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(4-chloro-3-nitro-benzylidene)amino]benzamide Formula: C22H15ClN4O3S2 MolecularWeight: 482.9625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NN=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NN=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O3S2/c23-17-10-7-15(11-19(17)27(29)30)12-24-26-21(28)16-8-5-14(6-9-16)13-31-22-25-18-3-1-2-4-20(18)32-22/h1-12H,13H2,(H,26,28)