2-(1,3-benzoxazol-2-ylsulfanyl)-N-butyl-N'-methyl-butanediamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-butyl-N'-methyl-butanediamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-butyl-N'-methyl-butanediamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-butyl-N'-methylbutanediamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-butyl-N'-methylbutanediamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-butyl-N'-methyl-succinamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(=O)NC)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCNC(=O)C(CC(=O)NC)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C16H21N3O3S/c1-3-4-9-18-15(21)13(10-14(20)17-2)23-16-19-11-7-5-6-8-12(11)22-16/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,21)