N-methyl-4-[2-(2-sulfanylethanoylamino)ethylcarbamothioylamino]benzamide

Systemtic Name: N-methyl-4-[2-(2-sulfanylethanoylamino)ethylcarbamothioylamino]benzamide Openeye Name: N-methyl-4-[2-[(2-sulfanylacetyl)amino]ethylcarbamothioylamino]benzamide CAS Name: 4-[[[2-[(2-mercapto-1-oxoethyl)amino]ethylamino]-sulfanylidenemethyl]amino]-N-methylbenzamide IUPAC Name: N-methyl-4-[2-[(2-sulfanylacetyl)amino]ethylcarbamothioylamino]benzamide Traditional Name: 4-[2-[(2-mercaptoacetyl)amino]ethylthiocarbamoylamino]-N-methyl-benzamide Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=O)CS

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=O)CS

InChI

InChI=1S/C13H18N4O2S2/c1-14-12(19)9-2-4-10(5-3-9)17-13(21)16-7-6-15-11(18)8-20/h2-5,20H,6-8H2,1H3,(H,14,19)(H,15,18)(H2,16,17,21)