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S-(2-diethylaminoethyl) 3-propylbenzenecarbothioate

S-(2-diethylaminoethyl) 3-propylbenzenecarbothioate

Systemtic Name:S-(2-diethylaminoethyl) 3-propylbenzenecarbothioate
Openeye Name:S-(2-diethylaminoethyl) 3-propylbenzenecarbothioate
CAS Name:3-propylbenzenecarbothioic acid S-(2-diethylaminoethyl) ester
IUPAC Name:S-(2-diethylaminoethyl) 3-propylbenzenecarbothioate
Traditional Name:3-propylthiobenzoic acid S-(2-diethylaminoethyl) ester
Formula: C16H25NOS
MolecularWeight: 279.4408
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=O)SCCN(CC)CC


Isomeric SMILES

CCCC1=CC=CC(=C1)C(=O)SCCN(CC)CC


InChI

InChI=1S/C16H25NOS/c1-4-8-14-9-7-10-15(13-14)16(18)19-12-11-17(5-2)6-3/h7,9-10,13H,4-6,8,11-12H2,1-3H3


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