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

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-4-methyl-thiophen-2-yl]-5-phenyl-pentan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thienyl]-5-phenyl-pentan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methyl-2-thiophenyl]-5-phenyl-1-pentanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-4-methylthiophen-2-yl]-5-phenylpentan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-4-methyl-2-thienyl]-5-phenyl-pentan-1-one Formula: C22H31NO2S MolecularWeight: 373.55204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(S1)C(=O)CCCCC2=CC=CC=C2)C)(CO)N

Isomeric SMILES

CCC(CCC1=C(C=C(S1)C(=O)CCCCC2=CC=CC=C2)C)(CO)N

InChI

InChI=1S/C22H31NO2S/c1-3-22(23,16-24)14-13-20-17(2)15-21(26-20)19(25)12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,15,24H,3,7-8,11-14,16,23H2,1-2H3