2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-methyl-4-nitro-phenyl)butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-methyl-4-nitro-phenyl)butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-methyl-4-nitro-phenyl)butanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-methyl-N-(2-methyl-4-nitro-phenyl)butyramide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C(C)C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C(C)C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19N3O3S2/c1-11(2)17(27-19-21-15-6-4-5-7-16(15)26-19)18(23)20-14-9-8-13(22(24)25)10-12(14)3/h4-11,17H,1-3H3,(H,20,23)