S-(2-hydroxyethyl) 4-(hexadecylamino)benzenecarbothioate

Systemtic Name: S-(2-hydroxyethyl) 4-(hexadecylamino)benzenecarbothioate Openeye Name: S-(2-hydroxyethyl) 4-(hexadecylamino)benzenecarbothioate CAS Name: 4-(hexadecylamino)benzenecarbothioic acid S-(2-hydroxyethyl) ester IUPAC Name: S-(2-hydroxyethyl) 4-(hexadecylamino)benzenecarbothioate Traditional Name: 4-(cetylamino)thiobenzoic acid S-(2-hydroxyethyl) ester Formula: C25H43NO2S MolecularWeight: 421.67942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)SCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)SCCO

InChI

InChI=1S/C25H43NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-24-18-16-23(17-19-24)25(28)29-22-21-27/h16-19,26-27H,2-15,20-22H2,1H3