7-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(3-chloro-2-morpholino-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[3-chloro-2-(4-morpholinyl)anilino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(3-chloro-2-morpholino-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C21H20ClN4O3S- MolecularWeight: 443.9265

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4)[O-]

InChI

InChI=1S/C21H21ClN4O3S/c1-2-26-20(28)14-7-6-13(12-17(14)24-21(26)30)19(27)23-16-5-3-4-15(22)18(16)25-8-10-29-11-9-25/h3-7,12,28H,2,8-11H2,1H3,(H,23,27)/p-1