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

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)N(C2=S)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)N(C2=S)C4=CC=CC=C4C

InChI

InChI=1S/C25H25N5O2S/c1-18-8-3-5-10-21(18)29-23(31)20(16-26-12-7-14-28-15-13-27-17-28)24(32)30(25(29)33)22-11-6-4-9-19(22)2/h3-6,8-11,13,15-17,26H,7,12,14H2,1-2H3