4-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(2,5-dimethylphenyl)thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-16-8-9-17(2)19(14-16)27-15-20(25)23-10-12-24(13-11-23)21(26)22-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)