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

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-2-3-4-5-12-21-35-25-19-17-24(18-20-25)27(33)30-29(36)32-31-28(34)26(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-11,13-20,26H,2-5,12,21H2,1H3,(H,31,34)(H2,30,32,33,36)