S-(5-pyridin-4-ylpyrimidin-2-yl) 4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]piperazine-1-carbothioate

Systemtic Name: S-(5-pyridin-4-ylpyrimidin-2-yl) 4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]piperazine-1-carbothioate Openeye Name: S-[5-(4-pyridyl)pyrimidin-2-yl] 4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carbothioate CAS Name: 4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-piperazinecarbothioic acid S-(5-pyridin-4-yl-2-pyrimidinyl) ester IUPAC Name: S-(5-pyridin-4-ylpyrimidin-2-yl) 4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carbothioate Traditional Name: 4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carbothioic acid S-[5-(4-pyridyl)pyrimidin-2-yl] ester Formula: C22H19ClN6O3S2 MolecularWeight: 515.00766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)SC2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CCN1C(=O)SC2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C22H19ClN6O3S2/c23-18-1-2-19-16(11-18)12-20(27-19)34(31,32)29-9-7-28(8-10-29)22(30)33-21-25-13-17(14-26-21)15-3-5-24-6-4-15/h1-6,11-14,27H,7-10H2