S-(2-diethylaminoethyl) 3-butylbenzenecarbothioate

Systemtic Name: S-(2-diethylaminoethyl) 3-butylbenzenecarbothioate Openeye Name: S-(2-diethylaminoethyl) 3-butylbenzenecarbothioate CAS Name: 3-butylbenzenecarbothioic acid S-(2-diethylaminoethyl) ester IUPAC Name: S-(2-diethylaminoethyl) 3-butylbenzenecarbothioate Traditional Name: 3-butylthiobenzoic acid S-(2-diethylaminoethyl) ester Formula: C17H27NOS MolecularWeight: 293.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)SCCN(CC)CC

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)SCCN(CC)CC

InChI

InChI=1S/C17H27NOS/c1-4-7-9-15-10-8-11-16(14-15)17(19)20-13-12-18(5-2)6-3/h8,10-11,14H,4-7,9,12-13H2,1-3H3