4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-6,7-dimethyl-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-6,7-dimethyl-1H-indol-3-yl]butylamine Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(N2)C3=C(C=CC(=C3)SC)OC)CCCCN)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(N2)C3=C(C=CC(=C3)SC)OC)CCCCN)C

InChI

InChI=1S/C22H28N2OS/c1-14-8-10-18-17(7-5-6-12-23)22(24-21(18)15(14)2)19-13-16(26-4)9-11-20(19)25-3/h8-11,13,24H,5-7,12,23H2,1-4H3