N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C22H25ClN2O3S3 MolecularWeight: 497.0935

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCSC2=C1C=C(C=C2)Cl)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1CCSC2=C1C=C(C=C2)Cl)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O3S3/c1-29-12-9-20(25-31(27,28)14-11-16-5-3-2-4-6-16)22(26)24-19-10-13-30-21-8-7-17(23)15-18(19)21/h2-8,11,14-15,19-20,25H,9-10,12-13H2,1H3,(H,24,26)/b14-11+