(E)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O4S2/c1-35(31,32)29-17-15-28(16-18-29)21-9-7-20(8-10-21)26-25(34)27-24(30)14-12-22-11-13-23(33-22)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H2,26,27,30,34)/b14-12+