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

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-methyl-thiophen-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thienyl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thiophenyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methylthiophen-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-methyl-2-thienyl]-4-(p-tolyl)butan-1-one Formula: C22H31NO2S MolecularWeight: 373.55204

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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)(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2S/c1-4-22(23,15-24)13-12-20-17(3)14-21(26-20)19(25)7-5-6-18-10-8-16(2)9-11-18/h8-11,14,24H,4-7,12-13,15,23H2,1-3H3