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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=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=CC=C1C(=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)35-26-12-6-5-11-25(26)28(32)37)41-24-15-13-23(14-16-24)34-31(40)27(18-21-8-7-17-33-19-21)36-30(39)22-9-3-2-4-10-22/h2-20H,1H3,(H2,32,37)(H,34,40)(H,35,38)(H,36,39)/b27-18-