N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(3-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(=CC=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O3S2/c1-19-6-4-7-20(2)29(19)34(30,31)24-12-10-21(11-13-24)26-25(33)28-16-14-27(15-17-28)22-8-5-9-23(18-22)32-3/h5,8-13,18-20H,4,6-7,14-17H2,1-3H3,(H,26,33)