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

Systemtic Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-16-6-2-4-8-20(16)23(30)26-18-11-13-19(14-12-18)27-24(31)28-22(29)15-10-17-7-3-5-9-21(17)25/h2-15H,1H3,(H,26,30)(H2,27,28,29,31)/b15-10+