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

Systemtic Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide Openeye Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenyl-propanamide CAS Name: N-[4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-3-phenylpropanamide Traditional Name: N-[4-[[(E)-3-(4-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=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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