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

Systemtic Name: N-butan-2-yl-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide Openeye Name: 3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide Traditional Name: 3-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-N-sec-butyl-benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-3-14(2)23-20(27)16-8-6-9-17(13-16)24-21(28)25-19(26)12-11-15-7-4-5-10-18(15)22/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,27)(H2,24,25,26,28)