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

Systemtic Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide Openeye Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide CAS Name: 4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]-N-propyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H25N3O3S/c1-3-15-23-21(27)17-8-10-18(11-9-17)24-22(29)25-20(26)14-7-16-5-12-19(13-6-16)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,27)(H2,24,25,26,29)/b14-7+