N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]-N-[6-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-(p-tolylthio)butyramide Formula: C23H29N3OS3 MolecularWeight: 459.69086

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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=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C23H29N3OS3/c1-17-7-9-18(10-8-17)29-15-5-6-22(27)26(14-13-25(2)3)23-24-20-12-11-19(28-4)16-21(20)30-23/h7-12,16H,5-6,13-15H2,1-4H3