N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H24ClN3O2S/c1-4-20(27)24-17-10-11-18(23)19(13-17)25-22(29)26-21(28)12-7-15-5-8-16(9-6-15)14(2)3/h5-14H,4H2,1-3H3,(H,24,27)(H2,25,26,28,29)