2-[[4,6-bis(oxidanylidene)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[[1-(4-isopropylphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]ethyl]ammonium CAS Name: 2-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-diethylammonium IUPAC Name: 2-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]ethyl-diethylazanium Traditional Name: 2-[(4,6-diketo-1-p-cumenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]ethyl-diethyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H28N4O2S/c1-5-23(6-2)12-11-21-13-17-18(25)22-20(27)24(19(17)26)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,21H,5-6,11-12H2,1-4H3,(H,22,25,27)/p+1