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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H29N5O3S/c1-13(32-22-24-19(27-28-22)17-3-5-18(31-2)6-4-17)20(29)25-21(30)26-23-10-14-7-15(11-23)9-16(8-14)12-23/h3-6,13-16H,7-12H2,1-2H3,(H,24,27,28)(H2,25,26,29,30)