4-tert-butyl-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O3S/c1-22(2,3)16-11-9-15(10-12-16)20(29)24-21(30)26-25-19(28)14-13-18(27)23-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,30)