N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-2-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-2-esyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3SC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3SC

InChI

InChI=1S/C21H25N3O3S3/c1-5-30(26,27)18-12-7-6-9-15(18)20(25)24(14-13-23(2)3)21-22-19-16(28-4)10-8-11-17(19)29-21/h6-12H,5,13-14H2,1-4H3