4-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylamino]benzenesulfonamide

Systemtic Name: 4-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylamino]benzenesulfonamide Openeye Name: 4-[[(4-oxo-2-thioxo-1H-quinazolin-3-yl)amino]methylamino]benzenesulfonamide CAS Name: 4-[[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylamino]benzenesulfonamide IUPAC Name: 4-[[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylamino]benzenesulfonamide Traditional Name: 4-[[(4-keto-2-thioxo-1H-quinazolin-3-yl)amino]methylamino]benzenesulfonamide Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NCNC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NCNC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H15N5O3S2/c16-25(22,23)11-7-5-10(6-8-11)17-9-18-20-14(21)12-3-1-2-4-13(12)19-15(20)24/h1-8,17-18H,9H2,(H,19,24)(H2,16,22,23)