1-[2-(cyclohexen-1-yl)ethyl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(phenethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-[(phenethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=S

InChI

InChI=1S/C21H25N3O2S/c25-19-18(15-22-13-11-16-7-3-1-4-8-16)20(26)24(21(27)23-19)14-12-17-9-5-2-6-10-17/h1,3-4,7-9,15,22H,2,5-6,10-14H2,(H,23,25,27)