4-tert-butyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3S/c1-15(2)14-20(29)25-19-12-8-17(9-13-19)22(31)27-28-23(32)26-21(30)16-6-10-18(11-7-16)24(3,4)5/h6-13,15H,14H2,1-5H3,(H,25,29)(H,27,31)(H2,26,28,30,32)