1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-5-(3,4-dimethylphenyl)pentan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-5-(3,4-dimethylphenyl)pentan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-5-(3,4-dimethylphenyl)pentan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-5-(3,4-dimethylphenyl)-1-pentanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(3,4-dimethylphenyl)pentan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-5-(3,4-dimethylphenyl)pentan-1-one Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCC(=O)C2=CC=C(S2)CCC(C)(CO)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCC(=O)C2=CC=C(S2)CCC(C)(CO)N)C

InChI

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