S-[6-(naphthalen-2-ylcarbonylamino)hexyl] 2-methylpropanethioate

Systemtic Name: S-[6-(naphthalen-2-ylcarbonylamino)hexyl] 2-methylpropanethioate Openeye Name: S-[6-(naphthalene-2-carbonylamino)hexyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[6-[[2-naphthalenyl(oxo)methyl]amino]hexyl] ester IUPAC Name: S-[6-(naphthalene-2-carbonylamino)hexyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[6-(2-naphthoylamino)hexyl] ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCNC(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)C(=O)SCCCCCCNC(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H27NO2S/c1-16(2)21(24)25-14-8-4-3-7-13-22-20(23)19-12-11-17-9-5-6-10-18(17)15-19/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,22,23)