3-[3-[(5-tert-butyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]-7-chloranyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[3-[(5-tert-butyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]-7-chloranyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-(5-tert-butyl-2-methoxy-anilino)-3-oxo-propyl]-7-chloro-2-thioxo-quinazolin-4-olate CAS Name: 3-[3-(5-tert-butyl-2-methoxyanilino)-3-oxopropyl]-7-chloro-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-(5-tert-butyl-2-methoxyanilino)-3-oxopropyl]-7-chloro-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[3-(5-tert-butyl-2-methoxy-anilino)-3-keto-propyl]-7-chloro-2-thioxo-quinazolin-4-olate Formula: C22H23ClN3O3S- MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=C3C=CC(=CC3=NC2=S)Cl)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=C3C=CC(=CC3=NC2=S)Cl)[O-]

InChI

InChI=1S/C22H24ClN3O3S/c1-22(2,3)13-5-8-18(29-4)17(11-13)24-19(27)9-10-26-20(28)15-7-6-14(23)12-16(15)25-21(26)30/h5-8,11-12,28H,9-10H2,1-4H3,(H,24,27)/p-1