N-(1-adamantylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]propionamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O2S/c1-15-4-3-5-20(8-15)28-7-6-25-23(28)31-16(2)21(29)26-22(30)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-8,16-19H,9-14H2,1-2H3,(H2,26,27,29,30)