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

Systemtic Name: 5-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[(3-methyl-1,1-dioxo-thiolan-3-yl)carbamothioylamino]naphthalene-1-sulfonic acid CAS Name: 5-[[[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamothioylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[(1,1-diketo-3-methyl-thiolan-3-yl)thiocarbamoylamino]naphthalene-1-sulfonic acid Formula: C16H18N2O5S3 MolecularWeight: 414.51952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C16H18N2O5S3/c1-16(8-9-25(19,20)10-16)18-15(24)17-13-6-2-5-12-11(13)4-3-7-14(12)26(21,22)23/h2-7H,8-10H2,1H3,(H2,17,18,24)(H,21,22,23)