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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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