N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-tosyl-butyramide Formula: C25H33N3O3S3 MolecularWeight: 519.74282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S3/c1-5-27(6-2)16-17-28(25-26-24-21(32-4)9-7-10-22(24)33-25)23(29)11-8-18-34(30,31)20-14-12-19(3)13-15-20/h7,9-10,12-15H,5-6,8,11,16-18H2,1-4H3