N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C27H27ClN2O3S MolecularWeight: 495.03288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)C)Cl)OC)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)C)Cl)OC)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H27ClN2O3S/c1-4-25(27(32)30-23-15-18(2)22(28)17-24(23)33-3)34-21-12-8-11-20(16-21)29-26(31)14-13-19-9-6-5-7-10-19/h5-17,25H,4H2,1-3H3,(H,29,31)(H,30,32)/b14-13+