ethyl 4-butylsulfanyl-3-[(phenylmethyl)amino]benzoate

Systemtic Name: ethyl 4-butylsulfanyl-3-[(phenylmethyl)amino]benzoate Openeye Name: ethyl 3-(benzylamino)-4-butylsulfanyl-benzoate CAS Name: 4-(butylthio)-3-[(phenylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-butylsulfanylbenzoate Traditional Name: 3-(benzylamino)-4-(butylthio)benzoic acid ethyl ester Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(=O)OCC)NCC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(=O)OCC)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO2S/c1-3-5-13-24-19-12-11-17(20(22)23-4-2)14-18(19)21-15-16-9-7-6-8-10-16/h6-12,14,21H,3-5,13,15H2,1-2H3