N-(2-methylpropyl)-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide

Systemtic Name: N-(2-methylpropyl)-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Openeye Name: N-isobutyl-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide CAS Name: N-(2-methylpropyl)-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: N-(2-methylpropyl)-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N-isobutyl-N'-(6-mesyl-1,3-benzothiazol-2-yl)succinamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O4S2/c1-10(2)9-17-14(20)6-7-15(21)19-16-18-12-5-4-11(25(3,22)23)8-13(12)24-16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,20)(H,18,19,21)