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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(NC2=C(C=C1)C)C3=C(C=CC(=C3)SC)OC)CCCCN

Isomeric SMILES

CC1=C2C(=C(NC2=C(C=C1)C)C3=C(C=CC(=C3)SC)OC)CCCCN

InChI

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