3-chloranyl-N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-hydroxybutyl(1-naphthyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-hydroxybutyl(1-naphthalenyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-hydroxybutyl(naphthalen-1-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-hydroxybutyl(1-naphthyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H21ClN2O2S2 MolecularWeight: 469.01874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N(CCCCO)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N(CCCCO)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H21ClN2O2S2/c25-21-18-11-3-4-13-20(18)31-22(21)23(29)26-24(30)27(14-5-6-15-28)19-12-7-9-16-8-1-2-10-17(16)19/h1-4,7-13,28H,5-6,14-15H2,(H,26,29,30)