N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanehydrazide

Systemtic Name: N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanehydrazide Openeye Name: 3-(benzenesulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide CAS Name: 3-(benzenesulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide IUPAC Name: 3-(benzenesulfonyl)-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide Traditional Name: 3-besyl-N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propionohydrazide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NNC(=O)CCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3O3S2/c1-12-8-9-15-17(13(12)2)19-18(25-15)21-20-16(22)10-11-26(23,24)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)