1,3-diphenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-diphenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diphenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diphenyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diphenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diphenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c29-22-21(18-25-14-17-26-15-8-3-9-16-26)23(30)28(20-12-6-2-7-13-20)24(31)27(22)19-10-4-1-5-11-19/h1-2,4-7,10-13,18,25H,3,8-9,14-17H2/p+1