1-[4-[4-(diphenylmethyl)piperazin-1-yl]-6-methyl-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-1-yl]-6-methyl-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-allyl-4-(4-benzhydrylpiperazin-1-yl)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[4-[4-(diphenylmethyl)-1-piperazinyl]-6-methyl-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(4-benzhydrylpiperazin-1-yl)-6-methyl-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-allyl-4-(4-benzhydrylpiperazino)-6-methyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1CC=C)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1CC=C)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C27H30N4OS/c1-4-15-31-20(2)24(21(3)32)26(28-27(31)33)30-18-16-29(17-19-30)25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h4-14,25H,1,15-19H2,2-3H3