N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-nitrophenyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-nitrophenyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-nitrophenyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-nitrophenyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-nitrophenyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-nitrophenyl)butyramide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11(2)16(12-7-9-13(10-8-12)21(23)24)17(22)20-18-19-14-5-3-4-6-15(14)25-18/h3-11,16H,1-2H3,(H,19,20,22)