N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(p-tolyl)thiazol-2-yl]butanamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[4-(p-tolyl)thiazol-2-yl]butyramide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H18N4O5S/c1-13-4-6-14(7-5-13)16-12-31-20(22-16)23-19(26)3-2-10-24-17-9-8-15(25(28)29)11-18(17)30-21(24)27/h4-9,11-12H,2-3,10H2,1H3,(H,22,23,26)