3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O2S/c25-21-12-5-4-9-18(21)13-14-22(29)28-24(31)27-20-11-6-10-19(15-20)23(30)26-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,26,30)(H2,27,28,29,31)/b14-13+