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

Systemtic Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-13(2)19(26)22-15-8-10-16(11-9-15)23-20(27)24-18(25)12-7-14-5-3-4-6-17(14)21/h3-13H,1-2H3,(H,22,26)(H2,23,24,25,27)/b12-7+