3-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-diethyl-azanium

Systemtic Name: 3-[[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]propyl-diethylammonium IUPAC Name: 3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]propyl-diethylazanium Traditional Name: 3-[(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]propyl-diethyl-ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N4O2S/c1-3-21(4-2)12-8-11-19-13-15-16(23)20-18(25)22(17(15)24)14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3,(H,20,23,25)/p+1