N,N-dimethyl-3-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide

Systemtic Name: N,N-dimethyl-3-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide Openeye Name: N,N-dimethyl-3-[3-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide CAS Name: N,N-dimethyl-3-[3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N,N-dimethyl-3-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide Traditional Name: N,N-dimethyl-3-[3-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

InChI

InChI=1S/C22H25N3O2S/c1-16-7-9-17(10-8-16)11-13-20(26)24-22(28)23-19-6-4-5-18(15-19)12-14-21(27)25(2)3/h4-11,13,15H,12,14H2,1-3H3,(H2,23,24,26,28)/b13-11+