N'-(6-butyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzohydrazide

Systemtic Name: N'-(6-butyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzohydrazide Openeye Name: N'-(6-butyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzohydrazide CAS Name: N'-(6-butyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide IUPAC Name: N'-(6-butyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide Traditional Name: N'-(6-butyl-1,3-benzothiazol-2-yl)-4-mesyl-benzohydrazide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O3S2/c1-3-4-5-13-6-11-16-17(12-13)26-19(20-16)22-21-18(23)14-7-9-15(10-8-14)27(2,24)25/h6-12H,3-5H2,1-2H3,(H,20,22)(H,21,23)