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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-5-6-19(27)24-16-11-12-17(23)18(13-16)25-21(29)26-20(28)14-7-9-15(10-8-14)22(2,3)4/h7-13H,5-6H2,1-4H3,(H,24,27)(H2,25,26,28,29)