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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-N-phenethyl-benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-33-23-14-12-20(18-24(23)34-2)13-15-25(31)30-27(35)29-22-11-7-6-10-21(22)26(32)28-17-16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3,(H,28,32)(H2,29,30,31,35)/b15-13+