1-(6-methyl-1-phenyl-4-piperidin-1-yl-2-sulfanylidene-pyrimidin-5-yl)ethanone

Systemtic Name: 1-(6-methyl-1-phenyl-4-piperidin-1-yl-2-sulfanylidene-pyrimidin-5-yl)ethanone Openeye Name: 1-[6-methyl-1-phenyl-4-(1-piperidyl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-1-phenyl-4-(1-piperidinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-(6-methyl-1-phenyl-4-piperidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone Traditional Name: 1-(6-methyl-1-phenyl-4-piperidino-2-thioxo-pyrimidin-5-yl)ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCCCC3)C(=O)C

InChI

InChI=1S/C18H21N3OS/c1-13-16(14(2)22)17(20-11-7-4-8-12-20)19-18(23)21(13)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3