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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylthio)butyramide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3OS2/c1-17-10-12-18(13-11-17)27-16-6-9-21(26)25(15-14-24(2)3)22-23-19-7-4-5-8-20(19)28-22/h4-5,7-8,10-13H,6,9,14-16H2,1-3H3