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

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-4-nitro-benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-19(27)22-18(24)16-2-4-17(5-3-16)23(25)26/h2-5,12-15H,6-11H2,1H3,(H2,21,22,24,27)/t12-,13?,14?,15?,20?/m1/s1