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

Systemtic Name: 4-tert-butyl-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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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)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)18-11-9-17(10-12-18)21(30)25-22(31)27-26-20(29)14-13-19(28)24-15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,31)