N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]benzamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-2-3-8-13-29-16-11-6-4-9-14(16)20(27)24-22(30)26-25-21(28)19-18(23)15-10-5-7-12-17(15)31-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,25,28)(H2,24,26,27,30)