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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS2/c1-16-5-8-18(9-6-16)27-14-11-21(26)25(13-12-24(3)4)22-23-19-10-7-17(2)15-20(19)28-22/h5-10,15H,11-14H2,1-4H3