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

Systemtic Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-propan-2-yl-1,4-diazepan-1-yl)phenyl]methanamine Openeye Name: 1-[5-(4-isopropyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenoxy)phenyl]-N-methyl-methanamine CAS Name: N-methyl-1-[2-[4-(methylthio)phenoxy]-5-(4-propan-2-yl-1,4-diazepan-1-yl)phenyl]methanamine IUPAC Name: N-methyl-1-[2-(4-methylsulfanylphenoxy)-5-(4-propan-2-yl-1,4-diazepan-1-yl)phenyl]methanamine Traditional Name: [5-(4-isopropyl-1,4-diazepan-1-yl)-2-[4-(methylthio)phenoxy]benzyl]-methyl-amine Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC

Isomeric SMILES

CC(C)N1CCCN(CC1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC

InChI

InChI=1S/C23H33N3OS/c1-18(2)25-12-5-13-26(15-14-25)20-6-11-23(19(16-20)17-24-3)27-21-7-9-22(28-4)10-8-21/h6-11,16,18,24H,5,12-15,17H2,1-4H3