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

Systemtic Name: (E)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-phenyl-acrylamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-29-17-8-9-18(19(15-17)25(27)28)23-11-13-24(14-12-23)21(30)22-20(26)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,22,26,30)/b10-7+