pyrimidin-2-yl-[4-[[(2S)-2-pyrrolidin-1-ylcarbothioylsulfanylpropanoyl]amino]phenyl]sulfonyl-azanide

Systemtic Name: pyrimidin-2-yl-[4-[[(2S)-2-pyrrolidin-1-ylcarbothioylsulfanylpropanoyl]amino]phenyl]sulfonyl-azanide Openeye Name: pyrimidin-2-yl-[4-[[(2S)-2-(pyrrolidine-1-carbothioylsulfanyl)propanoyl]amino]phenyl]sulfonyl-azanide CAS Name: [4-[[(2S)-1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]propyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: pyrimidin-2-yl-[4-[[(2S)-2-(pyrrolidine-1-carbothioylsulfanyl)propanoyl]amino]phenyl]sulfonylazanide Traditional Name: 2-pyrimidyl-[4-[[(2S)-2-(pyrrolidine-1-carbothioylthio)propanoyl]amino]phenyl]sulfonyl-azanide Formula: C18H20N5O3S3- MolecularWeight: 450.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC(=S)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC(=S)N3CCCC3

InChI

InChI=1S/C18H21N5O3S3/c1-13(28-18(27)23-11-2-3-12-23)16(24)21-14-5-7-15(8-6-14)29(25,26)22-17-19-9-4-10-20-17/h4-10,13H,2-3,11-12H2,1H3,(H2,19,20,21,22,24)/p-1/t13-/m0/s1