N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-methoxyphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C23H29N3O4S3 MolecularWeight: 507.68906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O4S3/c1-25(2)14-15-26(21(27)9-6-16-31-18-12-10-17(30-3)11-13-18)23-24-22-19(32-23)7-5-8-20(22)33(4,28)29/h5,7-8,10-13H,6,9,14-16H2,1-4H3