3-chloranyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C23H24ClN3O3S2/c1-2-3-4-7-14-30-16-12-10-15(11-13-16)21(28)26-27-23(31)25-22(29)20-19(24)17-8-5-6-9-18(17)32-20/h5-6,8-13H,2-4,7,14H2,1H3,(H,26,28)(H2,25,27,29,31)