N-cyclopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclopropyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C15H20N4O4S2 MolecularWeight: 384.4737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C15H20N4O4S2/c1-11-2-5-13(19(20)21)10-14(11)25(22,23)18-8-6-17(7-9-18)15(24)16-12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3,(H,16,24)