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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenyl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-phenyl-acryloyl]amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C37H37N3O5S MolecularWeight: 635.77178

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H37N3O5S/c1-3-5-23-45-37(44)28-19-21-29(22-20-28)38-36(43)33(4-2)46-31-18-12-17-30(25-31)39-35(42)32(24-26-13-8-6-9-14-26)40-34(41)27-15-10-7-11-16-27/h6-22,24-25,33H,3-5,23H2,1-2H3,(H,38,43)(H,39,42)(H,40,41)/b32-24-