4-[[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide

Systemtic Name: 4-[[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide Openeye Name: 4-[[2-[4-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzamide CAS Name: 4-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzamide IUPAC Name: 4-[[2-[4-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide Traditional Name: 4-[[2-[[4-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]-2-phenyl-acetyl]amino]benzamide Formula: C36H29N5O4S MolecularWeight: 627.71156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)N)SC3=CC=C(C=C3)NC(=O)C(=CC4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)N)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H29N5O4S/c37-33(42)26-13-15-28(16-14-26)40-36(45)32(25-9-3-1-4-10-25)46-30-19-17-29(18-20-30)39-35(44)31(22-24-8-7-21-38-23-24)41-34(43)27-11-5-2-6-12-27/h1-23,32H,(H2,37,42)(H,39,44)(H,40,45)(H,41,43)/b31-22-