1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-methyl-thiophen-2-yl]-4-(3,4-dimethylphenyl)butan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-methyl-thiophen-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thienyl]-4-(3,4-dimethylphenyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thiophenyl]-4-(3,4-dimethylphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methylthiophen-2-yl]-4-(3,4-dimethylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-methyl-2-thienyl]-4-(3,4-dimethylphenyl)butan-1-one Formula: C23H33NO2S MolecularWeight: 387.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(S1)C(=O)CCCC2=CC(=C(C=C2)C)C)C)(CO)N

Isomeric SMILES

CCC(CCC1=C(C=C(S1)C(=O)CCCC2=CC(=C(C=C2)C)C)C)(CO)N

InChI

InChI=1S/C23H33NO2S/c1-5-23(24,15-25)12-11-21-18(4)14-22(27-21)20(26)8-6-7-19-10-9-16(2)17(3)13-19/h9-10,13-14,25H,5-8,11-12,15,24H2,1-4H3