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

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]ethyl-dimethyl-ammonium Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN=CC1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN=CC1C(=O)N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-23(2)14-13-22-15-18-19(26)24(16-9-5-3-6-10-16)21(28)25(20(18)27)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3/p+1