N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S3/c1-31(26,27)18-9-10-19-20(14-18)30-22(23-19)24(15-16-6-5-12-28-16)21(25)11-13-29-17-7-3-2-4-8-17/h2-10,12,14H,11,13,15H2,1H3