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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4

InChI

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