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

Systemtic Name: 2-[[1-(4-chlorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-diethyl-azanium Openeye Name: 2-[[1-(4-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]ethyl-diethyl-ammonium CAS Name: 2-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-diethylammonium IUPAC Name: 2-[[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]ethyl-diethylazanium Traditional Name: 2-[[1-(4-chlorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]ethyl-diethyl-ammonium Formula: C17H22ClN4O2S+ MolecularWeight: 381.90018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O2S/c1-3-21(4-2)10-9-19-11-14-15(23)20-17(25)22(16(14)24)13-7-5-12(18)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,20,23,25)/p+1