(2R)-N-aminocarbonyl-3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide

Systemtic Name: (2R)-N-aminocarbonyl-3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide Openeye Name: (2R)-N-carbamoyl-3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide CAS Name: (2R)-N-carbamoyl-3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butanamide IUPAC Name: (2R)-N-carbamoyl-3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanamide Traditional Name: (2R)-N-carbamoyl-3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butyramide Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)SC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S2/c1-6(2)10(11(18)16-12(14)19)23-13-15-8-4-3-7(17(20)21)5-9(8)22-13/h3-6,10H,1-2H3,(H3,14,16,18,19)/t10-/m1/s1