N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N[C@H](C)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H29ClN2O2S/c1-3-27-19-5-4-17(9-18(19)23)20(26)25-21(28)24-13(2)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,13-16H,3,6-8,10-12H2,1-2H3,(H2,24,25,26,28)/t13-,14?,15?,16?,22?/m1/s1