N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C24H31N5O4S2 MolecularWeight: 517.66404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H31N5O4S2/c1-18-4-3-5-19(2)28(18)35(32,33)23-12-6-20(7-13-23)25-24(34)27-16-14-26(15-17-27)21-8-10-22(11-9-21)29(30)31/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,25,34)