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

Systemtic Name: 4-tert-butyl-N-[3-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(isovalerylthiocarbamoylamino)phenyl]benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-15(2)13-20(27)26-22(29)25-19-8-6-7-18(14-19)24-21(28)16-9-11-17(12-10-16)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,24,28)(H2,25,26,27,29)