N-[[5-(4,4-dimethylpent-1-yn-3-ylsulfanyl)-1-benzothiophen-3-yl]methoxy]propanethioamide

Systemtic Name: N-[[5-(4,4-dimethylpent-1-yn-3-ylsulfanyl)-1-benzothiophen-3-yl]methoxy]propanethioamide Openeye Name: N-[[5-(1-tert-butylprop-2-ynylsulfanyl)benzothiophen-3-yl]methoxy]propanethioamide CAS Name: N-[[5-(4,4-dimethylpent-1-yn-3-ylthio)-1-benzothiophen-3-yl]methoxy]propanethioamide IUPAC Name: N-[[5-(4,4-dimethylpent-1-yn-3-ylsulfanyl)-1-benzothiophen-3-yl]methoxy]propanethioamide Traditional Name: N-[[5-(1-tert-butylprop-2-ynylthio)benzothiophen-3-yl]methoxy]thiopropionamide Formula: C19H23NOS3 MolecularWeight: 377.58702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)NOCC1=CSC2=C1C=C(C=C2)SC(C#C)C(C)(C)C

Isomeric SMILES

CCC(=S)NOCC1=CSC2=C1C=C(C=C2)SC(C#C)C(C)(C)C

InChI

InChI=1S/C19H23NOS3/c1-6-17(19(3,4)5)24-14-8-9-16-15(10-14)13(12-23-16)11-21-20-18(22)7-2/h1,8-10,12,17H,7,11H2,2-5H3,(H,20,22)