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

Systemtic Name: 1-(3-chlorophenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chlorophenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chlorophenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chlorophenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chlorophenyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21ClN5O2S+ MolecularWeight: 394.89894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5O2S/c18-12-2-1-3-13(10-12)23-16(25)14(15(24)21-17(23)26)11-20-6-9-22-7-4-19-5-8-22/h1-3,10-11,19-20H,4-9H2,(H,21,24,26)/p+1