N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c1-2-20(28)26-11-9-25(10-12-26)18-7-5-15(22)14-17(18)23-21(30)24-19(27)8-6-16-4-3-13-29-16/h3-8,13-14H,2,9-12H2,1H3,(H2,23,24,27,30)