N-(1-adamantyl)-8-[(3-methoxyphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decane-3-carboxamide

Systemtic Name: N-(1-adamantyl)-8-[(3-methoxyphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decane-3-carboxamide Openeye Name: N-(1-adamantyl)-8-[(3-methoxyphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decane-3-carboxamide CAS Name: N-(1-adamantyl)-8-[(3-methoxyanilino)-sulfanylidenemethyl]-3,8-diazaspiro[4.5]decane-3-carboxamide IUPAC Name: N-(1-adamantyl)-8-[(3-methoxyphenyl)carbamothioyl]-3,8-diazaspiro[4.5]decane-3-carboxamide Traditional Name: N-(1-adamantyl)-8-[(3-methoxyphenyl)thiocarbamoyl]-3,8-diazaspiro[4.5]decane-3-carboxamide Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H38N4O2S/c1-33-23-4-2-3-22(14-23)28-25(34)30-8-5-26(6-9-30)7-10-31(18-26)24(32)29-27-15-19-11-20(16-27)13-21(12-19)17-27/h2-4,14,19-21H,5-13,15-18H2,1H3,(H,28,34)(H,29,32)