N-[2,6-bis(chloranyl)-3-methyl-phenyl]-4-[(E)-3-phenylprop-2-enyl]sulfanyl-butanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-4-[(E)-3-phenylprop-2-enyl]sulfanyl-butanamide Openeye Name: 4-[(E)-cinnamyl]sulfanyl-N-(2,6-dichloro-3-methyl-phenyl)butanamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-4-[[(E)-3-phenylprop-2-enyl]thio]butanamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]sulfanylbutanamide Traditional Name: 4-[[(E)-cinnamyl]thio]-N-(2,6-dichloro-3-methyl-phenyl)butyramide Formula: C20H21Cl2NOS MolecularWeight: 394.35784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)CCCSCC=CC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)CCCSC/C=C/C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H21Cl2NOS/c1-15-11-12-17(21)20(19(15)22)23-18(24)10-6-14-25-13-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-12H,6,10,13-14H2,1H3,(H,23,24)/b9-5+