7-[(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[5-carbamoyl-2-(1-pyrrolidinyl)anilino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(5-carbamoyl-2-pyrrolidino-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C22H22N5O3S- MolecularWeight: 436.50678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-2-27-21(30)15-7-5-14(12-16(15)25-22(27)31)20(29)24-17-11-13(19(23)28)6-8-18(17)26-9-3-4-10-26/h5-8,11-12,30H,2-4,9-10H2,1H3,(H2,23,28)(H,24,29)/p-1