N-(2-adamantylcarbamothioyl)-4-propan-2-yloxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-4-propan-2-yloxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-4-isopropoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-4-propan-2-yloxybenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-4-isopropoxy-benzamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H28N2O2S/c1-12(2)25-18-5-3-15(4-6-18)20(24)23-21(26)22-19-16-8-13-7-14(10-16)11-17(19)9-13/h3-6,12-14,16-17,19H,7-11H2,1-2H3,(H2,22,23,24,26)