4-tert-butyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(isovalerylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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