S-(2-diethylaminoethyl) 3-azanyl-4-butoxy-benzenecarbothioate

Systemtic Name: S-(2-diethylaminoethyl) 3-azanyl-4-butoxy-benzenecarbothioate Openeye Name: S-(2-diethylaminoethyl) 3-amino-4-butoxy-benzenecarbothioate CAS Name: 3-amino-4-butoxybenzenecarbothioic acid S-(2-diethylaminoethyl) ester IUPAC Name: S-(2-diethylaminoethyl) 3-amino-4-butoxybenzenecarbothioate Traditional Name: 3-amino-4-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=C(C=C1)C(=O)SCCN(CC)CC)N

Isomeric SMILES

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

InChI

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