4-tert-butyl-N-[3-(2-phenylethanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(2-phenylethanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(2-phenylacetyl)carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(2-phenylacetyl)carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(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(=CC=C2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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