4-ethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-2-36-26-15-9-23(10-16-26)28(35)31-29(37)30-24-11-13-25(14-12-24)32-18-20-33(21-19-32)27(34)17-8-22-6-4-3-5-7-22/h3-17H,2,18-21H2,1H3,(H2,30,31,35,37)/b17-8+