(2R)-N-(1-adamantylmethyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: (2R)-N-(1-adamantylmethyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: (2R)-N-(1-adamantylmethyl)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: (2R)-N-(1-adamantylmethyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: (2R)-N-(1-adamantylmethyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: (2R)-N-(1-adamantylmethyl)-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C[C@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C22H27N3O2S/c1-13(25-20(27)17-4-2-3-5-18(17)24-21(25)28)19(26)23-12-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H,23,26)(H,24,28)/t13-,14?,15?,16?,22?/m1/s1