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

Systemtic Name: N-[4-[[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(4-chloro-1,1-dioxo-thiolan-3-yl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[(4-chloro-1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(4-chloro-1,1-dioxothiolan-3-yl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(4-chloro-1,1-diketo-thiolan-3-yl)thiocarbamoylamino]phenyl]acetamide Formula: C13H16ClN3O3S2 MolecularWeight: 361.86744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2CS(=O)(=O)CC2Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2CS(=O)(=O)CC2Cl

InChI

InChI=1S/C13H16ClN3O3S2/c1-8(18)15-9-2-4-10(5-3-9)16-13(21)17-12-7-22(19,20)6-11(12)14/h2-5,11-12H,6-7H2,1H3,(H,15,18)(H2,16,17,21)