N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C20H24BrClN2OS MolecularWeight: 455.83936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C20H24BrClN2OS/c1-11(20-8-12-4-13(9-20)6-14(5-12)10-20)23-19(26)24-18(25)16-7-15(21)2-3-17(16)22/h2-3,7,11-14H,4-6,8-10H2,1H3,(H2,23,24,25,26)/t11-,12?,13?,14?,20?/m1/s1