N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-6-yl]octadecanamide

Systemtic Name: N-[2-(3-oxidanylidenebutanoylamino)-1,3-benzothiazol-6-yl]octadecanamide Openeye Name: N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-6-yl]octadecanamide CAS Name: N-[2-(1,3-dioxobutylamino)-1,3-benzothiazol-6-yl]octadecanamide IUPAC Name: N-[2-(3-oxobutanoylamino)-1,3-benzothiazol-6-yl]octadecanamide Traditional Name: N-[2-(acetoacetylamino)-1,3-benzothiazol-6-yl]stearamide Formula: C29H45N3O3S MolecularWeight: 515.7509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC(=O)C

InChI

InChI=1S/C29H45N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(34)30-24-19-20-25-26(22-24)36-29(31-25)32-28(35)21-23(2)33/h19-20,22H,3-18,21H2,1-2H3,(H,30,34)(H,31,32,35)