3-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-thioxo-1H-quinazolin-4-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNN2C(=O)C3=CC=CC=C3NC2=S)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNN2C(=O)C3=CC=CC=C3NC2=S)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H27N3O2S/c1-22(2,3)16-11-14(12-17(19(16)27)23(4,5)6)13-24-26-20(28)15-9-7-8-10-18(15)25-21(26)29/h7-13,24H,1-6H3,(H,25,29)