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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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