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

Systemtic Name: N-[3-(butanoylcarbamothioylamino)phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-(butanoylcarbamothioylamino)phenyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[3-(butanoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[3-(butyrylthiocarbamoylamino)phenyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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