4-tert-butyl-N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[oxo-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[(2-phenylacetyl)thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H28N4O3S/c1-27(2,3)21-13-9-19(10-14-21)24(33)28-22-15-11-20(12-16-22)25(34)30-31-26(35)29-23(32)17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,28,33)(H,30,34)(H2,29,31,32,35)