N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-11-4-5-12(2)18-17(11)21-19(28-18)20-16(23)10-27-9-13-6-7-15(26-3)14(8-13)22(24)25/h4-8H,9-10H2,1-3H3,(H,20,21,23)