1-[5-(4-cyclopropyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine

Systemtic Name: 1-[5-(4-cyclopropyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine Openeye Name: 1-[5-(4-cyclopropyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine CAS Name: 1-[5-(4-cyclopropyl-1,4-diazepan-1-yl)-2-[4-(methylthio)phenoxy]phenyl]-N-methylmethanamine IUPAC Name: 1-[5-(4-cyclopropyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine Traditional Name: [5-(4-cyclopropyl-1,4-diazepan-1-yl)-2-[4-(methylthio)phenoxy]benzyl]-methyl-amine Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)N2CCCN(CC2)C3CC3)OC4=CC=C(C=C4)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)N2CCCN(CC2)C3CC3)OC4=CC=C(C=C4)SC

InChI

InChI=1S/C23H31N3OS/c1-24-17-18-16-20(26-13-3-12-25(14-15-26)19-4-5-19)6-11-23(18)27-21-7-9-22(28-2)10-8-21/h6-11,16,19,24H,3-5,12-15,17H2,1-2H3