S-[[4-(propan-2-ylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-(propan-2-ylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-(isopropylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-[oxo-(propan-2-ylamino)methyl]phenyl]methyl] ester IUPAC Name: S-[[4-(propan-2-ylcarbamoyl)phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[4-(isopropylcarbamoyl)benzyl] ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-12(2)18-15(20)14-5-3-13(4-6-14)11-22-16(21)19-9-7-17-8-10-19/h3-6,12,17H,7-11H2,1-2H3,(H,18,20)