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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2S/c26-22-12-5-4-9-19(22)14-16-24(31)29-25(32)28-21-11-6-10-20(17-21)27-23(30)15-13-18-7-2-1-3-8-18/h1-12,14,16-17H,13,15H2,(H,27,30)(H2,28,29,31,32)/b16-14+