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

Systemtic Name: 4-tert-butyl-N-[4-(2-phenylethanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[(2-phenylacetyl)carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[(2-phenylacetyl)carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(2-phenylacetyl)thiocarbamoylamino]phenyl]benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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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)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-26(2,3)20-11-9-19(10-12-20)24(31)27-21-13-15-22(16-14-21)28-25(32)29-23(30)17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,27,31)(H2,28,29,30,32)