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

Systemtic Name: 4-[4-chloranyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-7-methyl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-(2-methoxy-5-methylsulfanyl-phenyl)-7-methyl-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-[2-methoxy-5-(methylthio)phenyl]-7-methyl-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-(2-methoxy-5-methylsulfanylphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-[2-methoxy-5-(methylthio)phenyl]-7-methyl-1H-indol-3-yl]butylamine Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)C(=C(N2)C3=C(C=CC(=C3)SC)OC)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C(=C(N2)C3=C(C=CC(=C3)SC)OC)CCCCN

InChI

InChI=1S/C21H25ClN2OS/c1-13-7-9-17(22)19-15(6-4-5-11-23)21(24-20(13)19)16-12-14(26-3)8-10-18(16)25-2/h7-10,12,24H,4-6,11,23H2,1-3H3