3-(2,6-dimethylphenyl)-N-methyl-3-[[5-(2-methylpropyl)-1H-pyrrol-3-yl]sulfanyl]propan-1-amine

Systemtic Name: 3-(2,6-dimethylphenyl)-N-methyl-3-[[5-(2-methylpropyl)-1H-pyrrol-3-yl]sulfanyl]propan-1-amine Openeye Name: 3-(2,6-dimethylphenyl)-3-[(5-isobutyl-1H-pyrrol-3-yl)sulfanyl]-N-methyl-propan-1-amine CAS Name: 3-(2,6-dimethylphenyl)-N-methyl-3-[[5-(2-methylpropyl)-1H-pyrrol-3-yl]thio]-1-propanamine IUPAC Name: 3-(2,6-dimethylphenyl)-N-methyl-3-[[5-(2-methylpropyl)-1H-pyrrol-3-yl]sulfanyl]propan-1-amine Traditional Name: [3-(2,6-dimethylphenyl)-3-[(5-isobutyl-1H-pyrrol-3-yl)thio]propyl]-methyl-amine Formula: C20H30N2S MolecularWeight: 330.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(CCNC)SC2=CNC(=C2)CC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(CCNC)SC2=CNC(=C2)CC(C)C

InChI

InChI=1S/C20H30N2S/c1-14(2)11-17-12-18(13-22-17)23-19(9-10-21-5)20-15(3)7-6-8-16(20)4/h6-8,12-14,19,21-22H,9-11H2,1-5H3