N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide

Systemtic Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide Openeye Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(4-methylthiazol-2-yl)butanediamide CAS Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(4-methyl-2-thiazolyl)butanediamide IUPAC Name: N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanediamide Traditional Name: N'-(6-mesyl-1,3-benzothiazol-2-yl)-N-(4-methylthiazol-2-yl)succinamide Formula: C16H16N4O4S3 MolecularWeight: 424.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H16N4O4S3/c1-9-8-25-15(17-9)19-13(21)5-6-14(22)20-16-18-11-4-3-10(27(2,23)24)7-12(11)26-16/h3-4,7-8H,5-6H2,1-2H3,(H,17,19,21)(H,18,20,22)