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

Systemtic Name: 2-(1-adamantylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)NC5=NN=C(S5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(CC4=CC=CC=C4)C(=O)NC5=NN=C(S5)C6=CC=CC=C6

InChI

InChI=1S/C28H31N5O2S/c34-24(30-27-33-32-25(36-27)22-9-5-2-6-10-22)23(14-18-7-3-1-4-8-18)29-26(35)31-28-15-19-11-20(16-28)13-21(12-19)17-28/h1-10,19-21,23H,11-17H2,(H2,29,31,35)(H,30,33,34)