1-[3-[4-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]but-3-ynoxy]phenyl]ethanone

Systemtic Name: 1-[3-[4-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]but-3-ynoxy]phenyl]ethanone Openeye Name: 1-[3-[4-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]but-3-ynoxy]phenyl]ethanone CAS Name: 1-[3-[4-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]but-3-ynoxy]phenyl]ethanone IUPAC Name: 1-[3-[4-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]but-3-ynoxy]phenyl]ethanone Traditional Name: 1-[3-[4-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]but-3-ynoxy]phenyl]ethanone Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCC#CC2=CC=C(S2)CCC(C)(CO)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCC#CC2=CC=C(S2)CCC(C)(CO)N

InChI

InChI=1S/C21H25NO3S/c1-16(24)17-6-5-7-18(14-17)25-13-4-3-8-19-9-10-20(26-19)11-12-21(2,22)15-23/h5-7,9-10,14,23H,4,11-13,15,22H2,1-2H3