S-(2-diethylaminoethyl) 4-azanyl-2-octoxy-benzenecarbothioate

Systemtic Name: S-(2-diethylaminoethyl) 4-azanyl-2-octoxy-benzenecarbothioate Openeye Name: S-(2-diethylaminoethyl) 4-amino-2-octoxy-benzenecarbothioate CAS Name: 4-amino-2-octoxybenzenecarbothioic acid S-(2-diethylaminoethyl) ester IUPAC Name: S-(2-diethylaminoethyl) 4-amino-2-octoxybenzenecarbothioate Traditional Name: 4-amino-2-octoxy-thiobenzoic acid S-(2-diethylaminoethyl) ester Formula: C21H36N2O2S MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)N)C(=O)SCCN(CC)CC

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)N)C(=O)SCCN(CC)CC

InChI

InChI=1S/C21H36N2O2S/c1-4-7-8-9-10-11-15-25-20-17-18(22)12-13-19(20)21(24)26-16-14-23(5-2)6-3/h12-13,17H,4-11,14-16,22H2,1-3H3