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

Systemtic Name: 4-(3-nitrophenyl)sulfonyl-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: N-isopropyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(3-nitrophenyl)sulfonyl-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-(3-nitrophenyl)sulfonyl-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: N-isopropyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C14H20N4O4S2 MolecularWeight: 372.463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S2/c1-11(2)15-14(23)16-6-8-17(9-7-16)24(21,22)13-5-3-4-12(10-13)18(19)20/h3-5,10-11H,6-9H2,1-2H3,(H,15,23)