N-tert-butyl-3-(2,2-diphenylethanoylcarbamothioylamino)benzamide

Systemtic Name: N-tert-butyl-3-(2,2-diphenylethanoylcarbamothioylamino)benzamide Openeye Name: N-tert-butyl-3-[(2,2-diphenylacetyl)carbamothioylamino]benzamide CAS Name: N-tert-butyl-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-[(2,2-diphenylacetyl)carbamothioylamino]benzamide Traditional Name: N-tert-butyl-3-[(2,2-diphenylacetyl)thiocarbamoylamino]benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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