2-[(5-hexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dipentyl-butanediamide

Systemtic Name: 2-[(5-hexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dipentyl-butanediamide Openeye Name: 2-[(5-hexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dipentyl-butanediamide CAS Name: 2-[(5-hexyl-1,3-benzothiazol-2-yl)thio]-N,N'-dipentylbutanediamide IUPAC Name: 2-[(5-hexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dipentylbutanediamide Traditional Name: N,N'-diamyl-2-[(5-hexyl-1,3-benzothiazol-2-yl)thio]succinamide Formula: C27H43N3O2S2 MolecularWeight: 505.77922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)SC(=N2)SC(CC(=O)NCCCCC)C(=O)NCCCCC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)SC(=N2)SC(CC(=O)NCCCCC)C(=O)NCCCCC

InChI

InChI=1S/C27H43N3O2S2/c1-4-7-10-11-14-21-15-16-23-22(19-21)30-27(33-23)34-24(26(32)29-18-13-9-6-3)20-25(31)28-17-12-8-5-2/h15-16,19,24H,4-14,17-18,20H2,1-3H3,(H,28,31)(H,29,32)