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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-(3-methylphenoxy)butan-1-one Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3S/c1-15-5-3-6-16(13-15)24-12-4-7-18(23)19-9-8-17(25-19)10-11-20(2,21)14-22/h3,5-6,8-9,13,22H,4,7,10-12,14,21H2,1-2H3