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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S2/c1-16-5-8-18(9-6-16)28-14-11-21(26)25(13-12-24(2)3)22-23-19-10-7-17(27-4)15-20(19)29-22/h5-10,15H,11-14H2,1-4H3