4-tert-butyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H24ClN3O2S/c1-5-18(26)23-15-10-11-16(22)17(12-15)24-20(28)25-19(27)13-6-8-14(9-7-13)21(2,3)4/h6-12H,5H2,1-4H3,(H,23,26)(H2,24,25,27,28)