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

Systemtic Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: N-isopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: N-isopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

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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)NC(C)C

Isomeric SMILES

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

InChI

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