3-chloranyl-N-[(2-phenoxyethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-phenoxyethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(2-phenoxyacetyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H14ClN3O3S2 MolecularWeight: 419.90506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3S2/c19-15-12-8-4-5-9-13(12)27-16(15)17(24)20-18(26)22-21-14(23)10-25-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,23)(H2,20,22,24,26)