N-(2-diethylaminoethyl)-4-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[[2-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]acetyl]amino]benzamide Formula: C19H29N5O4S MolecularWeight: 423.52966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)CS

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CNC(=O)CNC(=O)CS

InChI

InChI=1S/C19H29N5O4S/c1-3-24(4-2)10-9-20-19(28)14-5-7-15(8-6-14)23-17(26)12-21-16(25)11-22-18(27)13-29/h5-8,29H,3-4,9-13H2,1-2H3,(H,20,28)(H,21,25)(H,22,27)(H,23,26)