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

Systemtic Name: S-phenyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate Openeye Name: S-phenyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate CAS Name: N-[3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl]carbamothioic acid S-phenyl ester IUPAC Name: S-phenyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate Traditional Name: N-[3-(2,2-dimethylpentanoylamino)phenyl]thiocarbamic acid S-phenyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=O)SC2=CC=CC=C2

Isomeric SMILES

CCCC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=O)SC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O2S/c1-4-13-20(2,3)18(23)21-15-9-8-10-16(14-15)22-19(24)25-17-11-6-5-7-12-17/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)