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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCC2=CC=C(C=C2)OC)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCC2=CC=C(C=C2)OC)(CO)N

InChI

InChI=1S/C20H27NO3S/c1-20(21,14-22)13-12-17-10-11-19(25-17)18(23)5-3-4-15-6-8-16(24-2)9-7-15/h6-11,22H,3-5,12-14,21H2,1-2H3