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

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-butylphenyl)-3-nitro-benzamide Openeye Name: N-(4-butylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitro-benzamide CAS Name: N-(4-butylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitrobenzamide IUPAC Name: N-(4-butylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-nitrobenzamide Traditional Name: N-(4-butylphenyl)-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-3-nitro-benzamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-2-3-5-16-8-10-18(11-9-16)22(20-12-13-29(27,28)15-20)21(24)17-6-4-7-19(14-17)23(25)26/h4,6-14,20H,2-3,5,15H2,1H3