3-chloranyl-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H13ClN2O2S2 MolecularWeight: 376.88032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H13ClN2O2S2/c1-9-6-7-12(21)11(8-9)19-17(23)20-16(22)15-14(18)10-4-2-3-5-13(10)24-15/h2-8,21H,1H3,(H2,19,20,22,23)