N-(1-adamantyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1-adamantyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1-adamantyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1-adamantyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1-adamantyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1-adamantyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)NC1=S

InChI

InChI=1S/C23H29N3O3S/c1-29-6-2-5-26-21(28)18-4-3-17(10-19(18)24-22(26)30)20(27)25-23-11-14-7-15(12-23)9-16(8-14)13-23/h3-4,10,14-16H,2,5-9,11-13H2,1H3,(H,24,30)(H,25,27)