N-[1-(1-adamantyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C23H29N3O2S/c1-14(23-11-15-8-16(12-23)10-17(9-15)13-23)24-20(27)6-7-26-21(28)18-4-2-3-5-19(18)25-22(26)29/h2-5,14-17H,6-13H2,1H3,(H,24,27)(H,25,29)