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

Systemtic Name: 3-[[1-(2-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(2-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[1-(2-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C16H20ClN4O2S+ MolecularWeight: 367.8736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H19ClN4O2S/c1-20(2)9-5-8-18-10-11-14(22)19-16(24)21(15(11)23)13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,22,24)/p+1