N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide

Systemtic Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide Openeye Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide CAS Name: N-[4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenylpropanamide Traditional Name: N-[4-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]phenyl]-3-phenyl-propionamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C25H22ClN3O2S/c26-22-9-5-4-8-19(22)11-17-24(31)29-25(32)28-21-14-12-20(13-15-21)27-23(30)16-10-18-6-2-1-3-7-18/h1-9,11-15,17H,10,16H2,(H,27,30)(H2,28,29,31,32)/b17-11+