N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[(3-butyramidophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-5-7-19(26)23-17-8-6-9-18(14-17)24-21(28)25-20(27)15-10-12-16(13-11-15)22(2,3)4/h6,8-14H,5,7H2,1-4H3,(H,23,26)(H2,24,25,27,28)