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

Systemtic Name: 5-[(hexylamino)methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(hexylamino)methylene]-1-(1-naphthyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(hexylamino)methylidene]-1-(1-naphthalenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(hexylamino)methylidene]-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(hexylamino)methylene]-1-(1-naphthyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O2S/c1-2-3-4-7-13-22-14-17-19(25)23-21(27)24(20(17)26)18-12-8-10-15-9-5-6-11-16(15)18/h5-6,8-12,14,22H,2-4,7,13H2,1H3,(H,23,25,27)