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

Systemtic Name: 3-chloranyl-N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H21ClN2O3S2/c1-27-15-8-6-7-14(13-15)24(11-4-5-12-25)21(28)23-20(26)19-18(22)16-9-2-3-10-17(16)29-19/h2-3,6-10,13,25H,4-5,11-12H2,1H3,(H,23,26,28)