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

Systemtic Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-3,4,5-triethoxy-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C27H37N3O4S2 MolecularWeight: 531.73038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC

InChI

InChI=1S/C27H37N3O4S2/c1-7-29(8-2)15-16-30(27-28-24-22(35-6)13-12-14-23(24)36-27)26(31)19-17-20(32-9-3)25(34-11-5)21(18-19)33-10-4/h12-14,17-18H,7-11,15-16H2,1-6H3