3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-propan-2-yl-benzamide

Systemtic Name: 3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-propan-2-yl-benzamide Openeye Name: 3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-isopropyl-benzamide CAS Name: 3-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-propan-2-ylbenzamide Traditional Name: 3-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-N-isopropyl-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-13(2)22-19(26)15-7-5-8-16(12-15)23-20(27)24-18(25)11-10-14-6-3-4-9-17(14)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H2,23,24,25,27)