3-[3-[methyl(pentan-3-yl)amino]-2-oxidanyl-propoxy]benzenecarbothioamide

Systemtic Name: 3-[3-[methyl(pentan-3-yl)amino]-2-oxidanyl-propoxy]benzenecarbothioamide Openeye Name: 3-[3-[1-ethylpropyl(methyl)amino]-2-hydroxy-propoxy]benzenecarbothioamide CAS Name: 3-[2-hydroxy-3-[methyl(pentan-3-yl)amino]propoxy]benzenecarbothioamide IUPAC Name: 3-[2-hydroxy-3-[methyl(pentan-3-yl)amino]propoxy]benzenecarbothioamide Traditional Name: 3-[3-[1-ethylpropyl(methyl)amino]-2-hydroxy-propoxy]thiobenzamide Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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