N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-bromanyl-benzamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-bromanyl-benzamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-bromo-benzamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-4-bromobenzamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-bromobenzamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-4-bromo-benzamide Formula: C20H25BrN2OS MolecularWeight: 421.3943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2OS/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)22-19(25)23-18(24)16-2-4-17(21)5-3-16/h2-5,12-15H,6-11H2,1H3,(H2,22,23,24,25)/t12-,13?,14?,15?,20?/m1/s1