S-methyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate

Systemtic Name: S-methyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate Openeye Name: S-methyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate CAS Name: N-[3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate Traditional Name: N-[3-(2,2-dimethylpentanoylamino)phenyl]thiocarbamic acid S-methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=O)SC

Isomeric SMILES

CCCC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=O)SC

InChI

InChI=1S/C15H22N2O2S/c1-5-9-15(2,3)13(18)16-11-7-6-8-12(10-11)17-14(19)20-4/h6-8,10H,5,9H2,1-4H3,(H,16,18)(H,17,19)