N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-3,4,5-triethoxy-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C25H33N3O4S2 MolecularWeight: 503.67722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3SC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3SC

InChI

InChI=1S/C25H33N3O4S2/c1-7-30-18-15-17(16-19(31-8-2)23(18)32-9-3)24(29)28(14-13-27(4)5)25-26-22-20(33-6)11-10-12-21(22)34-25/h10-12,15-16H,7-9,13-14H2,1-6H3