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

Systemtic Name: S-(2-diethylaminoethyl) 4-azanyl-2-butoxy-benzenecarbothioate Openeye Name: S-(2-diethylaminoethyl) 4-amino-2-butoxy-benzenecarbothioate CAS Name: 4-amino-2-butoxybenzenecarbothioic acid S-(2-diethylaminoethyl) ester IUPAC Name: S-(2-diethylaminoethyl) 4-amino-2-butoxybenzenecarbothioate Traditional Name: 4-amino-2-butoxy-thiobenzoic acid S-(2-diethylaminoethyl) ester Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCN(CC)CC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCN(CC)CC

InChI

InChI=1S/C17H28N2O2S/c1-4-7-11-21-16-13-14(18)8-9-15(16)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3