4-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(2-cyanophenyl)sulfanylbenzoyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[2-[(2-cyanophenyl)thio]benzoyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O2S/c1-23(2)21(27)25-13-11-24(12-14-25)20(26)17-8-4-6-10-19(17)28-18-9-5-3-7-16(18)15-22/h3-10H,11-14H2,1-2H3