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

Systemtic Name: 3-chloranyl-N-[cyclohexyl(4-oxidanylbutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[cyclohexyl(4-hydroxybutyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[cyclohexyl(4-hydroxybutyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H25ClN2O2S2 MolecularWeight: 425.0077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2S2/c21-17-15-10-4-5-11-16(15)27-18(17)19(25)22-20(26)23(12-6-7-13-24)14-8-2-1-3-9-14/h4-5,10-11,14,24H,1-3,6-9,12-13H2,(H,22,25,26)