N-(2-cyclopentylsulfanylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H23N3O5S/c26-21(23-17-8-3-4-9-20(17)31-16-6-1-2-7-16)10-5-13-24-18-12-11-15(25(28)29)14-19(18)30-22(24)27/h3-4,8-9,11-12,14,16H,1-2,5-7,10,13H2,(H,23,26)