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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-nosyl-piperazine-1-carbothioamide Formula: C24H31N5O6S3 MolecularWeight: 581.72784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O6S3/c1-18-4-3-5-19(2)28(18)38(34,35)23-10-6-20(7-11-23)25-24(36)26-14-16-27(17-15-26)37(32,33)22-12-8-21(9-13-22)29(30)31/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,25,36)