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

Systemtic Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Traditional Name: N-(2-methoxyethyl)-4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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)C(=O)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-29-19-11-4-16(5-12-19)6-13-20(26)25-22(30)24-18-9-7-17(8-10-18)21(27)23-14-15-28-2/h4-13H,3,14-15H2,1-2H3,(H,23,27)(H2,24,25,26,30)/b13-6+