(5Z)-1-(3-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(3-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(m-tolyl)-5-[[5-(1-piperidyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(3-methylphenyl)-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(3-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(m-tolyl)-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(O3)N4CCCCC4)/C(=O)NC2=S

InChI

InChI=1S/C21H21N3O3S/c1-14-6-5-7-15(12-14)24-20(26)17(19(25)22-21(24)28)13-16-8-9-18(27-16)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,25,28)/b17-13-