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

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C30H36N6O2S MolecularWeight: 544.71084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H36N6O2S/c1-36(2)24-10-8-23(9-11-24)27-34-35-29(39-27)32-26(37)25(15-19-6-4-3-5-7-19)31-28(38)33-30-16-20-12-21(17-30)14-22(13-20)18-30/h3-11,20-22,25H,12-18H2,1-2H3,(H2,31,33,38)(H,32,35,37)