N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-nosyl-piperazine-1-carbothioamide Formula: C21H25N5O7S3 MolecularWeight: 555.6475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O7S3/c27-26(28)18-3-7-20(8-4-18)35(29,30)24-11-9-23(10-12-24)21(34)22-17-1-5-19(6-2-17)36(31,32)25-13-15-33-16-14-25/h1-8H,9-16H2,(H,22,34)