N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-diethylaminoethyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C24H31N3OS2 MolecularWeight: 441.65244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C24H31N3OS2/c1-5-26(6-2)13-14-27(23(28)12-15-29-20-10-8-7-9-11-20)24-25-21-16-18(3)19(4)17-22(21)30-24/h7-11,16-17H,5-6,12-15H2,1-4H3