N-[2-(4-tert-butylphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4-tert-butylphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4-tert-butylphenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)15-7-4-13(5-8-15)10-11-22-18(25)14-6-9-16-17(12-14)23-20(27)24-19(16)26/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26,27)