4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C24H20ClN7O5S3 MolecularWeight: 618.1075

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C24H20ClN7O5S3/c25-20-18-7-4-16(32(34)35)14-19(18)39-21(20)22(33)30-10-12-31(13-11-30)24(38)28-15-2-5-17(6-3-15)40(36,37)29-23-26-8-1-9-27-23/h1-9,14H,10-13H2,(H,28,38)(H,26,27,29)