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

Systemtic Name: 4-tert-butyl-N-[3-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-5-18(25)24-20(27)23-17-8-6-7-16(13-17)22-19(26)14-9-11-15(12-10-14)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,26)(H2,23,24,25,27)