N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[2-(4-pyridylmethylcarbamoylamino)thiazol-4-yl]acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-4-thiazolyl]acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-[2-(pyridin-4-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[2-(4-pyridylmethylcarbamoylamino)thiazol-4-yl]acetamide Formula: C20H18N6O4S3 MolecularWeight: 502.58972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CSC(=N3)NC(=O)NCC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CSC(=N3)NC(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C20H18N6O4S3/c1-33(29,30)14-2-3-15-16(9-14)32-20(24-15)25-17(27)8-13-11-31-19(23-13)26-18(28)22-10-12-4-6-21-7-5-12/h2-7,9,11H,8,10H2,1H3,(H,24,25,27)(H2,22,23,26,28)