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

Systemtic Name: N-[[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C29H29ClN4O2S MolecularWeight: 533.08416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H29ClN4O2S/c1-2-21-8-11-23(12-9-21)28(36)32-29(37)31-25-20-24(30)13-14-26(25)33-16-18-34(19-17-33)27(35)15-10-22-6-4-3-5-7-22/h3-15,20H,2,16-19H2,1H3,(H2,31,32,36,37)/b15-10+