1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-6-phenyl-hexan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-6-phenyl-hexan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-6-phenyl-hexan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-6-phenyl-1-hexanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-6-phenylhexan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-6-phenyl-hexan-1-one Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCCCC2=CC=CC=C2)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCCCC2=CC=CC=C2)(CO)N

InChI

InChI=1S/C21H29NO2S/c1-21(22,16-23)15-14-18-12-13-20(25-18)19(24)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,23H,3,6-7,10-11,14-16,22H2,1H3