2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-N-phenethyl-benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O3S/c1-32-21-14-11-20(12-15-21)13-16-24(30)29-26(33)28-23-10-6-5-9-22(23)25(31)27-18-17-19-7-3-2-4-8-19/h2-16H,17-18H2,1H3,(H,27,31)(H2,28,29,30,33)/b16-13+