(E)-N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H26N4O3S/c34-27(15-10-21-6-2-1-3-7-21)31-29(37)30-23-11-13-24(14-12-23)32-16-18-33(19-17-32)28(35)26-20-22-8-4-5-9-25(22)36-26/h1-15,20H,16-19H2,(H2,30,31,34,37)/b15-10+