N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-ethanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-ethanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-acetamide CAS Name: N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide Traditional Name: N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-2,2-diphenyl-acetamide Formula: C28H31N3OS2 MolecularWeight: 489.69524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3OS2/c1-4-30(5-2)18-19-31(28-29-24-17-16-23(33-3)20-25(24)34-28)27(32)26(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20,26H,4-5,18-19H2,1-3H3