N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C24H31N3O3S3 MolecularWeight: 505.71624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S3/c1-4-26(5-2)15-16-27(24-25-21-14-13-19(31-3)18-22(21)32-24)23(28)12-9-17-33(29,30)20-10-7-6-8-11-20/h6-8,10-11,13-14,18H,4-5,9,12,15-17H2,1-3H3