1-[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine

Systemtic Name: 1-[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine Openeye Name: 1-[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine CAS Name: 1-[5-(4-cyclopropyl-1-piperazinyl)-2-[4-(methylthio)phenoxy]phenyl]-N-methylmethanamine IUPAC Name: 1-[5-(4-cyclopropylpiperazin-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine Traditional Name: [5-(4-cyclopropylpiperazino)-2-[4-(methylthio)phenoxy]benzyl]-methyl-amine Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2CCN(CC2)C3CC3)OC4=CC=C(C=C4)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2CCN(CC2)C3CC3)OC4=CC=C(C=C4)SC

InChI

InChI=1S/C22H29N3OS/c1-23-16-17-15-19(25-13-11-24(12-14-25)18-3-4-18)5-10-22(17)26-20-6-8-21(27-2)9-7-20/h5-10,15,18,23H,3-4,11-14,16H2,1-2H3