N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylthio)butyramide Formula: C24H31N3O3S2 MolecularWeight: 473.65124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S2/c1-17-8-10-18(11-9-17)31-16-6-7-21(28)27(15-14-26(2)3)24-25-22-19(29-4)12-13-20(30-5)23(22)32-24/h8-13H,6-7,14-16H2,1-5H3