2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(4,5-dihydrothiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-(4,5-dihydrothiazol-2-ylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(2-thiazolin-2-ylthio)butyramide Formula: C14H14N4O3S3 MolecularWeight: 382.48096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NCCS3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NCCS3

InChI

InChI=1S/C14H14N4O3S3/c1-2-10(24-14-15-5-6-22-14)12(19)17-13-16-9-4-3-8(18(20)21)7-11(9)23-13/h3-4,7,10H,2,5-6H2,1H3,(H,16,17,19)