N-(1,3-benzothiazol-2-yl)-2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-5-(1-piperidinylsulfonyl)-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-keto-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C21H21N5O4S3 MolecularWeight: 503.61754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C21H21N5O4S3/c1-13-18(33(29,30)26-9-5-2-6-10-26)17-19(31-13)22-12-25(20(17)28)11-16(27)24-21-23-14-7-3-4-8-15(14)32-21/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,23,24,27)