5-[(hexylamino)methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(hexylamino)methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[(hexylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(hexylamino)methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[(hexylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[(hexylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2S/c1-2-3-4-8-11-19-12-15-16(22)20-18(24)21(17(15)23)13-14-9-6-5-7-10-14/h5-7,9-10,12,19H,2-4,8,11,13H2,1H3,(H,20,22,24)