methyl 6-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]hexanoate

Systemtic Name: methyl 6-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]hexanoate Openeye Name: methyl 6-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]hexanoate CAS Name: 6-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]hexanoate Traditional Name: 6-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]hexanoic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

COC(=O)CCCCCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C21H29N3O4S/c1-28-19(26)13-5-2-8-14-22-18(25)12-4-3-9-15-24-20(27)16-10-6-7-11-17(16)23-21(24)29/h6-7,10-11H,2-5,8-9,12-15H2,1H3,(H,22,25)(H,23,29)