N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S3/c1-23(2)12-13-24(20(25)11-14-28-16-7-5-4-6-8-16)21-22-18-10-9-17(30(3,26)27)15-19(18)29-21/h4-10,15H,11-14H2,1-3H3