N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-diethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C24H30FN3O3S3 MolecularWeight: 523.706703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O3S3/c1-4-27(5-2)15-16-28(24-26-23-20(32-3)8-6-9-21(23)33-24)22(29)10-7-17-34(30,31)19-13-11-18(25)12-14-19/h6,8-9,11-14H,4-5,7,10,15-17H2,1-3H3