4-[2,3-bis[(2-methyl-2-sulfanyl-propyl)amino]propoxymethyl]-N-(2-diethylaminoethyl)benzamide

Systemtic Name: 4-[2,3-bis[(2-methyl-2-sulfanyl-propyl)amino]propoxymethyl]-N-(2-diethylaminoethyl)benzamide Openeye Name: 4-[2,3-bis[(2-methyl-2-sulfanyl-propyl)amino]propoxymethyl]-N-(2-diethylaminoethyl)benzamide CAS Name: 4-[2,3-bis[(2-mercapto-2-methylpropyl)amino]propoxymethyl]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 4-[2,3-bis[(2-methyl-2-sulfanylpropyl)amino]propoxymethyl]-N-(2-diethylaminoethyl)benzamide Traditional Name: 4-[2,3-bis[(2-mercapto-2-methyl-propyl)amino]propoxymethyl]-N-(2-diethylaminoethyl)benzamide Formula: C25H46N4O2S2 MolecularWeight: 498.78834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)COCC(CNCC(C)(C)S)NCC(C)(C)S

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)COCC(CNCC(C)(C)S)NCC(C)(C)S

InChI

InChI=1S/C25H46N4O2S2/c1-7-29(8-2)14-13-27-23(30)21-11-9-20(10-12-21)16-31-17-22(28-19-25(5,6)33)15-26-18-24(3,4)32/h9-12,22,26,28,32-33H,7-8,13-19H2,1-6H3,(H,27,30)