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

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-2-3-10-19-33-23-17-15-22(16-18-23)25(31)28-27(34)30-29-26(32)24(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-18,24H,2-3,10,19H2,1H3,(H,29,32)(H2,28,30,31,34)