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

Systemtic Name: 3-chloranyl-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S2/c22-18-16-10-4-5-11-17(16)28-19(18)20(26)23-21(27)24(12-6-7-13-25)14-15-8-2-1-3-9-15/h1-5,8-11,25H,6-7,12-14H2,(H,23,26,27)