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

Systemtic Name: 4-[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[4-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[4-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[4-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]propanoylamino]benzamide Formula: C31H27N5O4S MolecularWeight: 565.64218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27N5O4S/c1-20(29(38)34-24-11-9-22(10-12-24)28(32)37)41-26-15-13-25(14-16-26)35-31(40)27(18-21-6-5-17-33-19-21)36-30(39)23-7-3-2-4-8-23/h2-20H,1H3,(H2,32,37)(H,34,38)(H,35,40)(H,36,39)/b27-18-