N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]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=C2SC)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

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