N-(3-chloranyl-2-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H23ClN2O2S/c1-17-22(26)12-7-13-23(17)28-25(30)18(2)31-21-11-6-10-20(16-21)27-24(29)15-14-19-8-4-3-5-9-19/h3-16,18H,1-2H3,(H,27,29)(H,28,30)/b15-14+