2-[4-[1-(4-ethylphenyl)-2-(methylsulfanylamino)ethyl]piperazin-2-yl]phenol

Systemtic Name: 2-[4-[1-(4-ethylphenyl)-2-(methylsulfanylamino)ethyl]piperazin-2-yl]phenol Openeye Name: 2-[4-[1-(4-ethylphenyl)-2-(methylsulfanylamino)ethyl]piperazin-2-yl]phenol CAS Name: N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)-1-piperazinyl]ethyl]methanesulfenamide IUPAC Name: 2-[4-[1-(4-ethylphenyl)-2-(methylsulfanylamino)ethyl]piperazin-2-yl]phenol Traditional Name: 2-[4-[1-(4-ethylphenyl)-2-[(methylthio)amino]ethyl]piperazin-2-yl]phenol Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3OS/c1-3-16-8-10-17(11-9-16)20(14-23-26-2)24-13-12-22-19(15-24)18-6-4-5-7-21(18)25/h4-11,19-20,22-23,25H,3,12-15H2,1-2H3