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

Systemtic Name: N-(2-adamantylcarbamothioyl)-4-[(2S)-butan-2-yl]oxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-4-[(1S)-1-methylpropoxy]benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-4-[(2S)-butan-2-yl]oxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-4-[(2S)-butan-2-yl]oxybenzamide Traditional Name: N-(2-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)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC[C@H](C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H30N2O2S/c1-3-13(2)26-19-6-4-16(5-7-19)21(25)24-22(27)23-20-17-9-14-8-15(11-17)12-18(20)10-14/h4-7,13-15,17-18,20H,3,8-12H2,1-2H3,(H2,23,24,25,27)/t13-,14?,15?,17?,18?,20?/m0/s1