N-[1-(1-adamantyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)NC1=S

InChI

InChI=1S/C23H29N3O2S/c1-3-26-21(28)18-5-4-17(9-19(18)25-22(26)29)20(27)24-13(2)23-10-14-6-15(11-23)8-16(7-14)12-23/h4-5,9,13-16H,3,6-8,10-12H2,1-2H3,(H,24,27)(H,25,29)