N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-2-3-4-8-15-27-18-13-11-17(12-14-18)20(26)23-24-21(28)22-19(25)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H,23,26)(H2,22,24,25,28)