N-(2-dimethylaminoethyl)-2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-2-(ethylthio)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-2-ethylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-2-(ethylthio)-N-(4-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

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