4-(3,4-dimethylphenyl)-6-(4-methylphenyl)-1-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-diazinan-5-one

Systemtic Name: 4-(3,4-dimethylphenyl)-6-(4-methylphenyl)-1-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-diazinan-5-one Openeye Name: 4-(3,4-dimethylphenyl)-1-(1-piperidylmethyl)-6-(p-tolyl)-2-thioxo-hexahydropyrimidin-5-one CAS Name: 4-(3,4-dimethylphenyl)-6-(4-methylphenyl)-1-(1-piperidinylmethyl)-2-sulfanylidene-1,3-diazinan-5-one IUPAC Name: 4-(3,4-dimethylphenyl)-6-(4-methylphenyl)-1-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-diazinan-5-one Traditional Name: 4-(3,4-dimethylphenyl)-1-(piperidinomethyl)-6-(p-tolyl)-2-thioxo-hexahydropyrimidin-5-one Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=O)C(NC(=S)N2CN3CCCCC3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=O)C(NC(=S)N2CN3CCCCC3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H31N3OS/c1-17-7-10-20(11-8-17)23-24(29)22(21-12-9-18(2)19(3)15-21)26-25(30)28(23)16-27-13-5-4-6-14-27/h7-12,15,22-23H,4-6,13-14,16H2,1-3H3,(H,26,30)