4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H26ClN3O3S3 MolecularWeight: 512.10814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O3S3/c1-25(2)13-14-26(20(27)8-5-15-30-17-11-9-16(23)10-12-17)22-24-21-18(31-22)6-4-7-19(21)32(3,28)29/h4,6-7,9-12H,5,8,13-15H2,1-3H3