4-azanyl-N-[3-(2-diethylaminoethylsulfanyl)propyl]benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-azanyl-N-[3-(2-diethylaminoethylsulfanyl)propyl]benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4-amino-N-[3-(2-diethylaminoethylsulfanyl)propyl]benzamide; citric acid CAS Name: 4-amino-N-[3-(2-diethylaminoethylthio)propyl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-amino-N-[3-(2-diethylaminoethylsulfanyl)propyl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 4-amino-N-[3-(2-diethylaminoethylthio)propyl]benzamide; citric acid Formula: C22H35N3O8S MolecularWeight: 501.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSCCCNC(=O)C1=CC=C(C=C1)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCSCCCNC(=O)C1=CC=C(C=C1)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H27N3OS.C6H8O7/c1-3-19(4-2)11-13-21-12-5-10-18-16(20)14-6-8-15(17)9-7-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,3-5,10-13,17H2,1-2H3,(H,18,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)