7-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(4-ethoxycarbonylpiperazine-1-carbonyl)-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-ethoxycarbonylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(4-carbethoxypiperazine-1-carbonyl)-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(=O)OCC)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(=O)OCC)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-3-22-16(24)13-6-5-12(11-14(13)19-17(22)27)15(23)20-7-9-21(10-8-20)18(25)26-4-2/h5-6,11,24H,3-4,7-10H2,1-2H3/p-1