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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-isopropylsulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-3-isopropylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C22H27N3O3S3/c1-15(2)31(27,28)18-8-6-7-16(13-18)21(26)25(12-11-24(3)4)22-23-19-10-9-17(29-5)14-20(19)30-22/h6-10,13-15H,11-12H2,1-5H3