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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H17N5O5S/c26-17(21-19-23-22-18(31-19)11-13-5-2-1-3-6-13)7-4-10-24-15-9-8-14(25(28)29)12-16(15)30-20(24)27/h1-3,5-6,8-9,12H,4,7,10-11H2,(H,21,23,26)