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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C23H29N3OS2 MolecularWeight: 427.62586

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS2/c1-17-7-10-19(11-8-17)28-15-5-6-22(27)26(14-13-25(3)4)23-24-20-12-9-18(2)16-21(20)29-23/h7-12,16H,5-6,13-15H2,1-4H3