N-[(2S)-5-methylhexan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S2/c1-10(2)4-5-11(3)17-15(20)9-23-16-18-13-7-6-12(19(21)22)8-14(13)24-16/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,20)/t11-/m0/s1