N-(5-nitro-1-octanoyl-2,1-benzothiazol-3-ylidene)octanamide

Systemtic Name: N-(5-nitro-1-octanoyl-2,1-benzothiazol-3-ylidene)octanamide Openeye Name: N-(5-nitro-1-octanoyl-2,1-benzothiazol-3-ylidene)octanamide CAS Name: N-[5-nitro-1-(1-oxooctyl)-2,1-benzothiazol-3-ylidene]octanamide IUPAC Name: N-(5-nitro-1-octanoyl-2,1-benzothiazol-3-ylidene)octanamide Traditional Name: N-(1-caprylyl-5-nitro-2,1-benzothiazol-3-ylidene)caprylamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CCCCCCC

InChI

InChI=1S/C23H33N3O4S/c1-3-5-7-9-11-13-21(27)24-23-19-17-18(26(29)30)15-16-20(19)25(31-23)22(28)14-12-10-8-6-4-2/h15-17H,3-14H2,1-2H3