5-[(azepan-1-ylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=S

InChI

InChI=1S/C18H22N4O3S/c1-25-15-9-5-4-8-14(15)22-17(24)13(16(23)20-18(22)26)12-19-21-10-6-2-3-7-11-21/h4-5,8-9,12,19H,2-3,6-7,10-11H2,1H3,(H,20,23,26)