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

Systemtic Name: 2-(1-adamantylcarbamoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H33N5O3S/c1-37-23-9-5-8-22(14-23)26-33-34-28(38-26)31-25(35)24(13-18-6-3-2-4-7-18)30-27(36)32-29-15-19-10-20(16-29)12-21(11-19)17-29/h2-9,14,19-21,24H,10-13,15-17H2,1H3,(H2,30,32,36)(H,31,34,35)