1-(3,4-dimethylphenyl)-5-(hexyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-(hexyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,4-dimethylphenyl)-5-(hexyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,4-dimethylphenyl)-5-(hexyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,4-dimethylphenyl)-5-(hexyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,4-dimethylphenyl)-5-(hexyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H25N3O2S/c1-4-5-6-7-10-20-12-16-17(23)21-19(25)22(18(16)24)15-9-8-13(2)14(3)11-15/h8-9,11-12,16H,4-7,10H2,1-3H3,(H,21,23,25)