5-chloranyl-N-[3-[4-(oxidanylcarbamothioyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-N-[3-[4-(oxidanylcarbamothioyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide Openeye Name: 5-chloro-N-[3-[4-(hydroxycarbamothioyl)phenyl]prop-2-ynyl]benzofuran-2-carboxamide CAS Name: 5-chloro-N-[3-[4-[(hydroxyamino)-sulfanylidenemethyl]phenyl]prop-2-ynyl]-2-benzofurancarboxamide IUPAC Name: 5-chloro-N-[3-[4-(hydroxycarbamothioyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide Traditional Name: 5-chloro-N-[3-[4-(hydroxythiocarbamoyl)phenyl]prop-2-ynyl]coumarilamide Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCNC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C(=S)NO

Isomeric SMILES

C1=CC(=CC=C1C#CCNC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C(=S)NO

InChI

InChI=1S/C19H13ClN2O3S/c20-15-7-8-16-14(10-15)11-17(25-16)18(23)21-9-1-2-12-3-5-13(6-4-12)19(26)22-24/h3-8,10-11,24H,9H2,(H,21,23)(H,22,26)