3-chloranyl-6-methoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(isonicotinamidothiocarbamoyl)-6-methoxy-benzothiophene-2-carboxamide Formula: C17H13ClN4O3S2 MolecularWeight: 420.89312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O3S2/c1-25-10-2-3-11-12(8-10)27-14(13(11)18)16(24)20-17(26)22-21-15(23)9-4-6-19-7-5-9/h2-8H,1H3,(H,21,23)(H2,20,22,24,26)