2-(1-adamantyl)-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N5O2S/c1-2-34-22-6-4-21(5-7-22)32-30-23-8-3-20(12-24(23)31-32)28-26(35)29-25(33)16-27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19H,2,9-11,13-16H2,1H3,(H2,28,29,33,35)