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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H20ClN3O2S/c1-16-4-2-6-20(14-16)26-23(30)18-5-3-7-21(15-18)27-24(31)28-22(29)13-10-17-8-11-19(25)12-9-17/h2-15H,1H3,(H,26,30)(H2,27,28,29,31)/b13-10+