N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(o-tolyl)acetamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C23H29N3O3S/c1-3-4-5-8-15-29-20-13-11-18(12-14-20)22(28)25-26-23(30)24-21(27)16-19-10-7-6-9-17(19)2/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,25,28)(H2,24,26,27,30)