4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-3-propyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-3-propyl-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H23FN2O3S3 MolecularWeight: 466.612323

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S3/c1-3-12-24-18-11-8-16(28-2)14-19(18)29-21(24)23-20(25)5-4-13-30(26,27)17-9-6-15(22)7-10-17/h6-11,14H,3-5,12-13H2,1-2H3