N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S2/c1-23-10-4-5-11-14(8-10)25-16(17-11)18-15(20)9-3-6-13(24-2)12(7-9)19(21)22/h3-8H,1-2H3,(H,17,18,20)