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

Systemtic Name: 4-tert-butyl-N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H31N3O3S/c1-5-35-25-16-9-20(10-17-25)11-18-26(33)32-28(36)31-24-8-6-7-23(19-24)30-27(34)21-12-14-22(15-13-21)29(2,3)4/h6-19H,5H2,1-4H3,(H,30,34)(H2,31,32,33,36)/b18-11+