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

Systemtic Name: S-propyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate Openeye Name: S-propyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate CAS Name: N-[3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl]carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-[3-(2,2-dimethylpentanoylamino)phenyl]carbamothioate Traditional Name: N-[3-(2,2-dimethylpentanoylamino)phenyl]thiocarbamic acid S-propyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-5-10-17(3,4)15(20)18-13-8-7-9-14(12-13)19-16(21)22-11-6-2/h7-9,12H,5-6,10-11H2,1-4H3,(H,18,20)(H,19,21)