N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

InChI

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