N1,N3-dihexyl-5-(2-sulfanylethanoylamino)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-dihexyl-5-(2-sulfanylethanoylamino)benzene-1,3-dicarboxamide Openeye Name: N1,N3-dihexyl-5-[(2-sulfanylacetyl)amino]benzene-1,3-dicarboxamide CAS Name: N1,N3-dihexyl-5-[(2-mercapto-1-oxoethyl)amino]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-dihexyl-5-[(2-sulfanylacetyl)amino]benzene-1,3-dicarboxamide Traditional Name: N,N'-dihexyl-5-[(2-mercaptoacetyl)amino]isophthalamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCCCCCC

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCCCCCC

InChI

InChI=1S/C22H35N3O3S/c1-3-5-7-9-11-23-21(27)17-13-18(15-19(14-17)25-20(26)16-29)22(28)24-12-10-8-6-4-2/h13-15,29H,3-12,16H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)