3,5-dimethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]benzamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C29H30N4O4S/c1-36-25-18-22(19-26(20-25)37-2)28(35)31-29(38)30-23-9-11-24(12-10-23)32-14-16-33(17-15-32)27(34)13-8-21-6-4-3-5-7-21/h3-13,18-20H,14-17H2,1-2H3,(H2,30,31,35,38)/b13-8+