3-ethylsulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-ethylsulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-ethylsulfanyl-N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-(ethylthio)-N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-ethylsulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(ethylthio)-N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O4S3/c1-3-29-17-8-4-6-15(12-17)21(25)24(14-16-7-5-11-28-16)22-23-19-10-9-18(31(2,26)27)13-20(19)30-22/h4-13H,3,14H2,1-2H3