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

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C20H17N5O2S/c1-12(13-2-5-15(6-3-13)25-9-8-21-11-25)22-18(26)14-4-7-16-17(10-14)23-20(28)24-19(16)27/h2-12H,1H3,(H,22,26)(H2,23,24,27,28)