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

Systemtic Name: N-[[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C28H27ClN4O2S MolecularWeight: 519.05758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H27ClN4O2S/c1-20-6-5-9-22(18-20)27(35)31-28(36)30-23-11-12-25(24(29)19-23)32-14-16-33(17-15-32)26(34)13-10-21-7-3-2-4-8-21/h2-13,18-19H,14-17H2,1H3,(H2,30,31,35,36)/b13-10+