N-(5-tert-butyl-2-oxidanyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(5-tert-butyl-2-hydroxy-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(5-tert-butyl-2-hydroxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C22H23N3O3S/c1-5-10-25-20(28)15-8-6-13(11-16(15)24-21(25)29)19(27)23-17-12-14(22(2,3)4)7-9-18(17)26/h5-9,11-12,26H,1,10H2,2-4H3,(H,23,27)(H,24,29)