N-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[(1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(1,1-dioxothiolan-3-yl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(1,1-diketothiolan-3-yl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2CCS(=O)(=O)C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C13H15N3O5S2/c1-8-10(3-2-4-11(8)16(18)19)12(17)15-13(22)14-9-5-6-23(20,21)7-9/h2-4,9H,5-7H2,1H3,(H2,14,15,17,22)