1-[[3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)NC1=S

InChI

InChI=1S/C20H26N4O4S/c1-2-28-11-3-8-24-19(27)15-5-4-14(12-16(15)22-20(24)29)18(26)23-9-6-13(7-10-23)17(21)25/h4-5,12-13H,2-3,6-11H2,1H3,(H2,21,25)(H,22,29)