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

Systemtic Name: 1,3-diphenyl-5-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diphenyl-5-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C29H29N4O2S+ MolecularWeight: 497.63116

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S/c34-27-26(20-30-23-16-18-31(19-17-23)21-22-10-4-1-5-11-22)28(35)33(25-14-8-3-9-15-25)29(36)32(27)24-12-6-2-7-13-24/h1-15,20,23,30H,16-19,21H2/p+1