N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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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)CCCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S3/c1-32(27,28)19-11-12-20-21(15-19)31-23(24-20)25(16-17-7-5-13-29-17)22(26)10-6-14-30-18-8-3-2-4-9-18/h2-5,7-9,11-13,15H,6,10,14,16H2,1H3