4-tert-butyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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