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

Systemtic Name: 2-[4-[2-(methylsulfanylamino)-1-(4-propylphenyl)ethyl]piperazin-2-yl]phenol Openeye Name: 2-[4-[2-(methylsulfanylamino)-1-(4-propylphenyl)ethyl]piperazin-2-yl]phenol CAS Name: N-[2-[3-(2-hydroxyphenyl)-1-piperazinyl]-2-(4-propylphenyl)ethyl]methanesulfenamide IUPAC Name: 2-[4-[2-(methylsulfanylamino)-1-(4-propylphenyl)ethyl]piperazin-2-yl]phenol Traditional Name: 2-[4-[2-[(methylthio)amino]-1-(4-propylphenyl)ethyl]piperazin-2-yl]phenol Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C22H31N3OS/c1-3-6-17-9-11-18(12-10-17)21(15-24-27-2)25-14-13-23-20(16-25)19-7-4-5-8-22(19)26/h4-5,7-12,20-21,23-24,26H,3,6,13-16H2,1-2H3