N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)propionamide Formula: C24H24N2O4S2 MolecularWeight: 468.58836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H24N2O4S2/c1-17-10-11-21-23(18(17)2)25-24(31-21)26(15-20-9-6-13-30-20)22(27)12-14-32(28,29)16-19-7-4-3-5-8-19/h3-11,13H,12,14-16H2,1-2H3