4-[2-(4-tert-butylphenyl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(4-tert-butylphenyl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-(4-tert-butylphenyl)sulfanylacetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(4-tert-butylphenyl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(4-tert-butylphenyl)thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)18-9-11-20(12-10-18)29-17-21(27)25-13-15-26(16-14-25)22(28)24-19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3,(H,24,28)