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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC)C

InChI

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