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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C18H21N5O5S/c1-2-3-4-7-16-20-21-17(29-16)19-15(24)6-5-10-22-13-9-8-12(23(26)27)11-14(13)28-18(22)25/h8-9,11H,2-7,10H2,1H3,(H,19,21,24)