N-butyl-N-(phenylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-butyl-N-(phenylmethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-benzyl-N-butyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-butyl-N-(phenylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-benzyl-N-butyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-N-butyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H22N2O4S/c1-2-3-13-21(14-16-9-5-4-6-10-16)19(23)15-22-20(24)17-11-7-8-12-18(17)27(22,25)26/h4-12H,2-3,13-15H2,1H3