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

Systemtic Name: N-(2-dimethylaminoethyl)-3-ethylsulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-ethylsulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-3-ethylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-ethylsulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-esyl-N-[6-(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(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

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

InChI

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