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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-mesyl-piperazine-1-carbothioamide Formula: C19H30N4O4S3 MolecularWeight: 474.6609

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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)C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C19H30N4O4S3/c1-15-5-4-6-16(2)23(15)30(26,27)18-9-7-17(8-10-18)20-19(28)21-11-13-22(14-12-21)29(3,24)25/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,20,28)