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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

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