4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H27N5O5S/c1-2-3-4-5-6-7-10-19-23-24-20(32-19)22-18(27)9-8-13-25-16-12-11-15(26(29)30)14-17(16)31-21(25)28/h11-12,14H,2-10,13H2,1H3,(H,22,24,27)