3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl]amino]propanamide CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl]amino]propanamide Traditional Name: 3-[benzyl-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoyl]amino]propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20ClN3O2S/c21-17-9-6-15(7-10-17)8-11-19(26)23-20(27)24(13-12-18(22)25)14-16-4-2-1-3-5-16/h1-11H,12-14H2,(H2,22,25)(H,23,26,27)/b11-8+