4-butoxy-N-[(2,2-diphenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(2,2-diphenylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-2-3-18-32-22-16-14-21(15-17-22)24(30)27-26(33)29-28-25(31)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,23H,2-3,18H2,1H3,(H,28,31)(H2,27,29,30,33)