N-(4-tert-butylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4-tert-butylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4-tert-butylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23N3O2S/c1-5-12-25-20(27)17-11-6-14(13-18(17)24-21(25)28)19(26)23-16-9-7-15(8-10-16)22(2,3)4/h5-11,13H,1,12H2,2-4H3,(H,23,26)(H,24,28)