3-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(4-phenylphenyl)prop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-[[(Z)-2-benzamido-3-(4-phenylphenyl)acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid Formula: C38H31N3O5S MolecularWeight: 641.73484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C(=CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)/C(=C/C3=CC=C(C=C3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H31N3O5S/c1-25(35(42)40-32-14-8-13-30(24-32)38(45)46)47-33-21-19-31(20-22-33)39-37(44)34(41-36(43)29-11-6-3-7-12-29)23-26-15-17-28(18-16-26)27-9-4-2-5-10-27/h2-25H,1H3,(H,39,44)(H,40,42)(H,41,43)(H,45,46)/b34-23-