4-[3-[methyl(pentyl)amino]-2-oxidanyl-propoxy]benzenecarbothioamide

Systemtic Name: 4-[3-[methyl(pentyl)amino]-2-oxidanyl-propoxy]benzenecarbothioamide Openeye Name: 4-[2-hydroxy-3-[methyl(pentyl)amino]propoxy]benzenecarbothioamide CAS Name: 4-[2-hydroxy-3-[methyl(pentyl)amino]propoxy]benzenecarbothioamide IUPAC Name: 4-[2-hydroxy-3-[methyl(pentyl)amino]propoxy]benzenecarbothioamide Traditional Name: 4-[3-[amyl(methyl)amino]-2-hydroxy-propoxy]thiobenzamide Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)CC(COC1=CC=C(C=C1)C(=S)N)O

Isomeric SMILES

CCCCCN(C)CC(COC1=CC=C(C=C1)C(=S)N)O

InChI

InChI=1S/C16H26N2O2S/c1-3-4-5-10-18(2)11-14(19)12-20-15-8-6-13(7-9-15)16(17)21/h6-9,14,19H,3-5,10-12H2,1-2H3,(H2,17,21)