S-[[4-(tert-butylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-(tert-butylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-(tert-butylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-[(tert-butylamino)-oxomethyl]phenyl]methyl] ester IUPAC Name: S-[[4-(tert-butylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[4-(tert-butylcarbamoyl)benzyl] ester Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)CSC(=O)N2CCNCC2

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)CSC(=O)N2CCNCC2

InChI

InChI=1S/C17H25N3O2S/c1-17(2,3)19-15(21)14-6-4-13(5-7-14)12-23-16(22)20-10-8-18-9-11-20/h4-7,18H,8-12H2,1-3H3,(H,19,21)