N-[(2S)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3S2/c1-3-8(2)14-12(17)7-20-13-15-10-5-4-9(16(18)19)6-11(10)21-13/h4-6,8H,3,7H2,1-2H3,(H,14,17)/t8-/m0/s1