4-butoxy-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-butoxy-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-butoxy-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-butoxy-N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-butoxy-N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C25H33N3O2S2 MolecularWeight: 471.67842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCN(CC)CC)C2=NC3=C(S2)C=CC=C3SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCN(CC)CC)C2=NC3=C(S2)C=CC=C3SC

InChI

InChI=1S/C25H33N3O2S2/c1-5-8-18-30-20-14-12-19(13-15-20)24(29)28(17-16-27(6-2)7-3)25-26-23-21(31-4)10-9-11-22(23)32-25/h9-15H,5-8,16-18H2,1-4H3