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

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C23H29N3O3S3 MolecularWeight: 491.68966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

InChI=1S/C23H29N3O3S3/c1-17-10-12-18(13-11-17)30-16-6-9-21(27)26(15-14-25(2)3)23-24-22-19(31-23)7-5-8-20(22)32(4,28)29/h5,7-8,10-13H,6,9,14-16H2,1-4H3