butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-(1-naphthyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(E)-2-benzamido-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(E)-2-benzamido-3-(1-naphthyl)acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C40H37N3O5S MolecularWeight: 671.80388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C(=C\C3=CC=CC4=CC=CC=C43)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H37N3O5S/c1-3-4-24-48-40(47)30-20-22-32(23-21-30)41-37(44)27(2)49-34-18-11-17-33(26-34)42-39(46)36(43-38(45)29-13-6-5-7-14-29)25-31-16-10-15-28-12-8-9-19-35(28)31/h5-23,25-27H,3-4,24H2,1-2H3,(H,41,44)(H,42,46)(H,43,45)/b36-25+