N-(3-nitrophenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isopropylphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-nitrophenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-nitrophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-15(2)16-6-8-19(9-7-16)30(27,28)23-12-10-22(11-13-23)20(29)21-17-4-3-5-18(14-17)24(25)26/h3-9,14-15H,10-13H2,1-2H3,(H,21,29)