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

Systemtic Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: 2-methyl-N-[4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H25N3O3S/c1-3-32-22-15-8-19(9-16-22)10-17-24(30)29-26(33)28-21-13-11-20(12-14-21)27-25(31)23-7-5-4-6-18(23)2/h4-17H,3H2,1-2H3,(H,27,31)(H2,28,29,30,33)/b17-10+