4-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]butanoic acid Openeye Name: 4-[(3-methyl-1,1-dioxo-thiolan-3-yl)carbamothioylamino]butanoic acid CAS Name: 4-[[[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[(3-methyl-1,1-dioxothiolan-3-yl)carbamothioylamino]butanoic acid Traditional Name: 4-[(1,1-diketo-3-methyl-thiolan-3-yl)thiocarbamoylamino]butyric acid Formula: C10H18N2O4S2 MolecularWeight: 294.39092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NCCCC(=O)O

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)NCCCC(=O)O

InChI

InChI=1S/C10H18N2O4S2/c1-10(4-6-18(15,16)7-10)12-9(17)11-5-2-3-8(13)14/h2-7H2,1H3,(H,13,14)(H2,11,12,17)