N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C21H28N6O2S2 MolecularWeight: 460.61602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O2S2/c1-17-4-2-11-27(16-17)31(28,29)19-7-5-18(6-8-19)24-21(30)26-14-12-25(13-15-26)20-22-9-3-10-23-20/h3,5-10,17H,2,4,11-16H2,1H3,(H,24,30)