N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-(2-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-4-keto-3-(2-methoxyphenyl)quinazoline-7-carboxamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC=CC=C1N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C20H19N3O5S/c1-28-18-5-3-2-4-17(18)23-12-21-16-10-13(6-7-15(16)20(23)25)19(24)22-14-8-9-29(26,27)11-14/h2-7,10,12,14H,8-9,11H2,1H3,(H,22,24)