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

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O4S2/c1-9(2)5-6-16-14(21)18-13(20)8-24-15-17-11-4-3-10(19(22)23)7-12(11)25-15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,18,20,21)