4-(4-methylsulfonyl-2-nitro-phenyl)-N-propan-2-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: N-isopropyl-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: N-isopropyl-4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4S2/c1-11(2)16-15(24)18-8-6-17(7-9-18)13-5-4-12(25(3,22)23)10-14(13)19(20)21/h4-5,10-11H,6-9H2,1-3H3,(H,16,24)