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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(3-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(3-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(=C1)N2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CNN3CCCCCC3)C(=O)NC2=S

InChI

InChI=1S/C18H22N4O3S/c1-25-14-8-6-7-13(11-14)22-17(24)15(16(23)20-18(22)26)12-19-21-9-4-2-3-5-10-21/h6-8,11-12,19H,2-5,9-10H2,1H3,(H,20,23,26)