N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-butylphenyl)-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-butylphenyl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(4-butylphenyl)-4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-benzamide CAS Name: N-(4-butylphenyl)-4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitrobenzamide IUPAC Name: N-(4-butylphenyl)-4-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitrobenzamide Traditional Name: N-(4-butylphenyl)-4-chloro-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-3-nitro-benzamide Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN2O5S/c1-2-3-4-15-5-8-17(9-6-15)23(18-11-12-30(28,29)14-18)21(25)16-7-10-19(22)20(13-16)24(26)27/h5-13,18H,2-4,14H2,1H3