N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C17H14ClN3O4S2 MolecularWeight: 423.89376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O4S2/c1-25-14-5-2-10(6-13(14)21(23)24)8-26-9-16(22)20-17-19-12-4-3-11(18)7-15(12)27-17/h2-7H,8-9H2,1H3,(H,19,20,22)