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

Systemtic Name: 3-chloranyl-N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(1-cyclohexenyl)ethyl-(4-hydroxybutyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H27ClN2O2S2 MolecularWeight: 451.04498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H27ClN2O2S2/c23-19-17-10-4-5-11-18(17)29-20(19)21(27)24-22(28)25(13-6-7-15-26)14-12-16-8-2-1-3-9-16/h4-5,8,10-11,26H,1-3,6-7,9,12-15H2,(H,24,27,28)