4-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S2/c1-14-5-7-17(8-6-14)28(25,26)21-11-9-20(10-12-21)18(27)19-15-3-2-4-16(13-15)22(23)24/h2-8,13H,9-12H2,1H3,(H,19,27)