N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C23H29N3OS2 MolecularWeight: 427.62586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H29N3OS2/c1-17-15-20-21(16-18(17)2)29-23(24-20)26(13-12-25(3)4)22(27)11-8-14-28-19-9-6-5-7-10-19/h5-7,9-10,15-16H,8,11-14H2,1-4H3