N-(2-adamantylcarbamothioyl)-4-propoxy-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

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