2-(1-adamantylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N5O2S/c1-13(18(28)24-21-27-26-19(30-21)17-5-3-2-4-6-17)23-20(29)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h2-6,13-16H,7-12H2,1H3,(H2,23,25,29)(H,24,27,28)