N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C23H28N4O3S3 MolecularWeight: 504.68842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O3S3/c1-25(2)14-15-27(23-24-20-11-8-18(31-3)16-21(20)32-23)22(28)17-6-9-19(10-7-17)33(29,30)26-12-4-5-13-26/h6-11,16H,4-5,12-15H2,1-3H3