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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C25H34N4O3S2 MolecularWeight: 502.69246

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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)OC)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H34N4O3S2/c1-19-5-4-6-20(2)29(19)34(30,31)24-13-7-21(8-14-24)26-25(33)28-17-15-27(16-18-28)22-9-11-23(32-3)12-10-22/h7-14,19-20H,4-6,15-18H2,1-3H3,(H,26,33)