N-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(1,1-dioxothiolan-3-yl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[(1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(1,1-dioxothiolan-3-yl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(1,1-diketothiolan-3-yl)thiocarbamoylamino]phenyl]acetamide Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2CCS(=O)(=O)C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17N3O3S2/c1-9(17)14-10-2-4-11(5-3-10)15-13(20)16-12-6-7-21(18,19)8-12/h2-5,12H,6-8H2,1H3,(H,14,17)(H2,15,16,20)