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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=CC=C3)SC

InChI

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