N-(4-morpholin-4-ylsulfonylphenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O3S2/c26-30(27,25-13-15-28-16-14-25)18-6-4-17(5-7-18)22-20(29)24-11-9-23(10-12-24)19-3-1-2-8-21-19/h1-8H,9-16H2,(H,22,29)