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

Systemtic Name: 3-chloranyl-N-[2-hydroxyethyl-(phenylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-hydroxyethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[benzyl(2-hydroxyethyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S2/c20-16-14-8-4-5-9-15(14)26-17(16)18(24)21-19(25)22(10-11-23)12-13-6-2-1-3-7-13/h1-9,23H,10-12H2,(H,21,24,25)