S-(phenylmethyl) N-[2-(1-adamantyl)propan-2-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[2-(1-adamantyl)propan-2-yl]carbamothioate Openeye Name: S-benzyl N-[1-(1-adamantyl)-1-methyl-ethyl]carbamothioate CAS Name: N-[2-(1-adamantyl)propan-2-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[2-(1-adamantyl)propan-2-yl]carbamothioate Traditional Name: N-[1-(1-adamantyl)-1-methyl-ethyl]thiocarbamic acid S-benzyl ester Formula: C21H29NOS MolecularWeight: 343.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C12CC3CC(C1)CC(C3)C2)NC(=O)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C12CC3CC(C1)CC(C3)C2)NC(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H29NOS/c1-20(2,22-19(23)24-14-15-6-4-3-5-7-15)21-11-16-8-17(12-21)10-18(9-16)13-21/h3-7,16-18H,8-14H2,1-2H3,(H,22,23)