5-[4-(1-benzothiophen-3-yl)-2-oxidanyl-butyl]-2-methyl-2-oxidanyl-hexanediamide

Systemtic Name: 5-[4-(1-benzothiophen-3-yl)-2-oxidanyl-butyl]-2-methyl-2-oxidanyl-hexanediamide Openeye Name: 5-[4-(benzothiophen-3-yl)-2-hydroxy-butyl]-2-hydroxy-2-methyl-hexanediamide CAS Name: 5-[4-(1-benzothiophen-3-yl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide IUPAC Name: 5-[4-(1-benzothiophen-3-yl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide Traditional Name: 5-[4-(benzothiophen-3-yl)-2-hydroxy-butyl]-2-hydroxy-2-methyl-adipamide Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC(CCC1=CSC2=CC=CC=C21)O)C(=O)N)(C(=O)N)O

Isomeric SMILES

CC(CCC(CC(CCC1=CSC2=CC=CC=C21)O)C(=O)N)(C(=O)N)O

InChI

InChI=1S/C19H26N2O4S/c1-19(25,18(21)24)9-8-12(17(20)23)10-14(22)7-6-13-11-26-16-5-3-2-4-15(13)16/h2-5,11-12,14,22,25H,6-10H2,1H3,(H2,20,23)(H2,21,24)