5-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]naphthalene-1-sulfonic acid

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[(1,1-dioxothiolan-3-yl)carbamothioylamino]naphthalene-1-sulfonic acid CAS Name: 5-[[[(1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 5-[(1,1-dioxothiolan-3-yl)carbamothioylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[(1,1-diketothiolan-3-yl)thiocarbamoylamino]naphthalene-1-sulfonic acid Formula: C15H16N2O5S3 MolecularWeight: 400.49294

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=S)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C15H16N2O5S3/c18-24(19)8-7-10(9-24)16-15(23)17-13-5-1-4-12-11(13)3-2-6-14(12)25(20,21)22/h1-6,10H,7-9H2,(H2,16,17,23)(H,20,21,22)