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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-nitrophenyl)butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-nitrophenyl)butanamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-methyl-N-(2-nitrophenyl)butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-N-(2-nitrophenyl)butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-methyl-N-(2-nitrophenyl)butyramide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O3S2/c1-11(2)16(26-18-20-13-8-4-6-10-15(13)25-18)17(22)19-12-7-3-5-9-14(12)21(23)24/h3-11,16H,1-2H3,(H,19,22)