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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-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=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

InChI

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