4-(4-nitrophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-nosyl-piperazine-1-carbothioamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S2/c23-22(24)16-6-8-17(9-7-16)28(25,26)21-12-10-20(11-13-21)18(27)19-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,19,27)