N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C23H29N3O3S3 MolecularWeight: 491.68966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S3/c1-4-25(5-2)15-16-26(21(27)14-17-30-18-10-7-6-8-11-18)23-24-22-19(31-23)12-9-13-20(22)32(3,28)29/h6-13H,4-5,14-17H2,1-3H3