4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H29N3O2S/c1-19-8-10-20(11-9-19)12-17-25(32)31-27(34)30-24-7-5-6-23(18-24)29-26(33)21-13-15-22(16-14-21)28(2,3)4/h5-18H,1-4H3,(H,29,33)(H2,30,31,32,34)/b17-12+