N-(1-adamantylcarbamoyl)-3-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-3-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-3-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-3-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]propionamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N6O3S/c1-31-18-5-3-2-4-17(18)28-21(25-26-27-28)32-7-6-19(29)23-20(30)24-22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16H,6-13H2,1H3,(H2,23,24,29,30)