N-(1-adamantylcarbamothioyl)-4-[(2S)-butan-2-yl]oxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-[(2S)-butan-2-yl]oxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-[(1S)-1-methylpropoxy]benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-[(2S)-butan-2-yl]oxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-[(2S)-butan-2-yl]oxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-[(1S)-1-methylpropoxy]benzamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-3-14(2)26-19-6-4-18(5-7-19)20(25)23-21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,14-17H,3,8-13H2,1-2H3,(H2,23,24,25,27)/t14-,15?,16?,17?,22?/m0/s1