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

Systemtic Name: 4-tert-butyl-N-[4-[(propanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[(propanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[oxo-[[(1-oxopropylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[(propanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(propionylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-5-18(27)24-21(30)26-25-20(29)15-8-12-17(13-9-15)23-19(28)14-6-10-16(11-7-14)22(2,3)4/h6-13H,5H2,1-4H3,(H,23,28)(H,25,29)(H2,24,26,27,30)