N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C29H32N2O3S/c1-3-5-20-34-25-17-15-23(16-18-25)31-29(33)27(4-2)35-26-13-9-12-24(21-26)30-28(32)19-14-22-10-7-6-8-11-22/h6-19,21,27H,3-5,20H2,1-2H3,(H,30,32)(H,31,33)/b19-14+