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

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C29H33N5O2S MolecularWeight: 515.66962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H33N5O2S/c1-18-6-5-9-23(10-18)26-33-34-28(37-26)31-25(35)24(14-19-7-3-2-4-8-19)30-27(36)32-29-15-20-11-21(16-29)13-22(12-20)17-29/h2-10,20-22,24H,11-17H2,1H3,(H2,30,32,36)(H,31,34,35)