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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-methyl-thiophen-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-methyl-2-thienyl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-methyl-2-thiophenyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-methylthiophen-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-methyl-2-thienyl]-4-(p-tolyl)butan-1-one Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2S/c1-15-7-9-17(10-8-15)5-4-6-18(24)20-13-16(2)19(25-20)11-12-21(3,22)14-23/h7-10,13,23H,4-6,11-12,14,22H2,1-3H3