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

Systemtic Name: N,N-bis[(2R)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N,N-bis[(1R)-1-methylpropyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N,N-bis[(2R)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N,N-bis[(2R)-butan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N,N-bis[(1R)-1-methylpropyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S2/c1-5-11(3)19(12(4)6-2)16(21)10-24-17-18-14-8-7-13(20(22)23)9-15(14)25-17/h7-9,11-12H,5-6,10H2,1-4H3/t11-,12-/m1/s1