(E)-3-(furan-2-yl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acrylamide Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C=CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)/C=C/C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-27-15-4-6-16(17(13-15)23(25)26)21-8-10-22(11-9-21)19(29)20-18(24)7-5-14-3-2-12-28-14/h2-7,12-13H,8-11H2,1H3,(H,20,24,29)/b7-5+