2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15N3O4S2/c1-24-14-7-6-11(20(22)23)8-13(14)18-16(21)9-25-10-17-19-12-4-2-3-5-15(12)26-17/h2-8H,9-10H2,1H3,(H,18,21)