4-[2-[[1-(furan-3-ylcarbonyl)piperidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[1-(furan-3-ylcarbonyl)piperidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[1-(furan-3-carbonyl)-4-piperidyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[1-[3-furanyl(oxo)methyl]-4-piperidinyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[1-(3-furoyl)-4-piperidyl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H20N4O6S MolecularWeight: 432.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=COC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=COC=C3

InChI

InChI=1S/C19H20N4O6S/c20-18(25)12-1-2-16(15(9-12)23(27)28)30-11-17(24)21-14-3-6-22(7-4-14)19(26)13-5-8-29-10-13/h1-2,5,8-10,14H,3-4,6-7,11H2,(H2,20,25)(H,21,24)