3-ethyl-7-[(propan-2-ylcarbamothioylamino)carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-[(propan-2-ylcarbamothioylamino)carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[(isopropylcarbamothioylamino)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[(propan-2-ylcarbamothioylamino)carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[(isopropylthiocarbamoylamino)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C15H18N5O2S2- MolecularWeight: 364.46572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NNC(=S)NC(C)C)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NNC(=S)NC(C)C)[O-]

InChI

InChI=1S/C15H19N5O2S2/c1-4-20-13(22)10-6-5-9(7-11(10)17-15(20)24)12(21)18-19-14(23)16-8(2)3/h5-8,22H,4H2,1-3H3,(H,18,21)(H2,16,19,23)/p-1