N-(1-adamantylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CN4C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CN4C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H30N4O3S/c1-15(32-23-25-7-8-28(23)19-3-5-20(31-2)6-4-19)21(29)26-22(30)27-24-12-16-9-17(13-24)11-18(10-16)14-24/h3-8,15-18H,9-14H2,1-2H3,(H2,26,27,29,30)