(E)-3-(furan-2-yl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H24N4O3S/c1-2-20(27)25-13-11-24(12-14-25)17-7-5-16(6-8-17)22-21(29)23-19(26)10-9-18-4-3-15-28-18/h3-10,15H,2,11-14H2,1H3,(H2,22,23,26,29)/b10-9+