(2R)-N-(methylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(methylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(methylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(methylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-(methylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(methylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4S2/c1-6(10(17)15-11(18)13-2)21-12-14-8-4-3-7(16(19)20)5-9(8)22-12/h3-6H,1-2H3,(H2,13,15,17,18)/t6-/m1/s1