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

Systemtic Name: 3-chloranyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-2-3-4-5-13-28-18-11-9-15(10-12-18)20(27)24-25-21(29)23-19(26)16-7-6-8-17(22)14-16/h6-12,14H,2-5,13H2,1H3,(H,24,27)(H2,23,25,26,29)