1-[(2,4-dimethylphenyl)methyl]-3-phenyl-5-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenyl-5-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenyl-5-(1-piperidylmethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenyl-5-(1-piperidinylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-3-phenyl-5-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,4-dimethylbenzyl)-3-phenyl-5-(piperidinomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=O)C(C(=O)N(C2=S)C3=CC=CC=C3)CN4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=O)C(C(=O)N(C2=S)C3=CC=CC=C3)CN4CCCCC4)C

InChI

InChI=1S/C25H29N3O2S/c1-18-11-12-20(19(2)15-18)16-27-23(29)22(17-26-13-7-4-8-14-26)24(30)28(25(27)31)21-9-5-3-6-10-21/h3,5-6,9-12,15,22H,4,7-8,13-14,16-17H2,1-2H3