N-butan-2-yl-3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide Traditional Name: 3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-3-13(2)22-19(26)15-5-4-6-17(12-15)23-20(27)24-18(25)11-14-7-9-16(21)10-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)(H2,23,24,25,27)