N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

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