butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-phenyl-acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C36H35N3O5S MolecularWeight: 621.7452

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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=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C(=C/C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C36H35N3O5S/c1-3-4-22-44-36(43)28-18-20-29(21-19-28)37-33(40)25(2)45-31-17-11-16-30(24-31)38-35(42)32(23-26-12-7-5-8-13-26)39-34(41)27-14-9-6-10-15-27/h5-21,23-25H,3-4,22H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)/b32-23-