4-[[2-(4-methoxyphenyl)sulfanyl-2-methyl-propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-(4-methoxyphenyl)sulfanyl-2-methyl-propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-(4-methoxyphenyl)sulfanyl-2-methyl-propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-[(4-methoxyphenyl)thio]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-(4-methoxyphenyl)sulfanyl-2-methylpropanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-[(4-methoxyphenyl)thio]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H30N2O3S/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)