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

Systemtic Name: 5-[[(2-azanylcyclohexyl)amino]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(2-aminocyclohexyl)amino]methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(2-aminocyclohexyl)amino]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(2-aminocyclohexyl)amino]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(2-aminocyclohexyl)amino]methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNC3CCCCC3N)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNC3CCCCC3N)C(=O)NC2=S

InChI

InChI=1S/C18H22N4O2S/c1-11-5-4-6-12(9-11)22-17(24)13(16(23)21-18(22)25)10-20-15-8-3-2-7-14(15)19/h4-6,9-10,14-15,20H,2-3,7-8,19H2,1H3,(H,21,23,25)