3-chloranyl-6-methoxy-N-[(2-phenylethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(2-phenylethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H16ClN3O3S2/c1-26-12-7-8-13-14(10-12)28-17(16(13)20)18(25)21-19(27)23-22-15(24)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,22,24)(H2,21,23,25,27)