N-(1-adamantylcarbamothioyl)-3-butan-2-yloxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-butan-2-yloxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-sec-butoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-butan-2-yloxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-butan-2-yloxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-sec-butoxy-benzamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-3-14(2)26-19-6-4-5-18(10-19)20(25)23-21(27)24-22-11-15-7-16(12-22)9-17(8-15)13-22/h4-6,10,14-17H,3,7-9,11-13H2,1-2H3,(H2,23,24,25,27)