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

Systemtic Name: 3-butoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]benzamide Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C31H34N4O3S/c1-2-3-22-38-28-11-7-10-25(23-28)30(37)33-31(39)32-26-13-15-27(16-14-26)34-18-20-35(21-19-34)29(36)17-12-24-8-5-4-6-9-24/h4-17,23H,2-3,18-22H2,1H3,(H2,32,33,37,39)/b17-12+