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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-(1,1-dioxothiolan-3-yl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-(1,1-dioxo-3-thiolanyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-N-(1,1-diketothiolan-3-yl)-4-keto-quinazoline-7-carboxamide Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5S/c1-29-18-5-3-14(9-16(18)21)24-11-22-17-8-12(2-4-15(17)20(24)26)19(25)23-13-6-7-30(27,28)10-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,23,25)