N-(2-naphthalen-2-yloxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-naphthalen-2-yloxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(2-naphthyloxy)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(2-naphthalenyloxy)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-naphthalen-2-yloxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[2-(2-naphthoxy)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCCNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCCNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H17N3O3S/c25-19(15-6-8-17-18(12-15)23-21(28)24-20(17)26)22-9-10-27-16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12H,9-10H2,(H,22,25)(H2,23,24,26,28)