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

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N5O5S2/c27-26(28)19-5-3-18(4-6-19)23-9-11-24(12-10-23)21(32)22-17-1-7-20(8-2-17)33(29,30)25-13-15-31-16-14-25/h1-8H,9-16H2,(H,22,32)