5-[(hexylamino)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(hexylamino)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(hexylamino)methylene]-1,3-bis(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(hexylamino)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(hexylamino)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(hexylamino)methylene]-1,3-bis(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=C1C(=O)N(C(=S)N(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCNC=C1C(=O)N(C(=S)N(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H29N3O2S/c1-4-5-6-7-16-26-17-22-23(29)27(20-12-8-18(2)9-13-20)25(31)28(24(22)30)21-14-10-19(3)11-15-21/h8-15,17,26H,4-7,16H2,1-3H3