2-chloranyl-5-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: 2-chloranyl-5-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 2-chloro-5-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 2-chloro-5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate IUPAC Name: 2-chloro-5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 2-chloro-5-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate Formula: C16H15ClN3O4S- MolecularWeight: 380.826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNC2=CC(=C(C=C2)Cl)C(=O)[O-])C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CNC2=CC(=C(C=C2)Cl)C(=O)[O-])C(=O)N(C1=S)CC

InChI

InChI=1S/C16H16ClN3O4S/c1-3-19-13(21)11(14(22)20(4-2)16(19)25)8-18-9-5-6-12(17)10(7-9)15(23)24/h5-8,18H,3-4H2,1-2H3,(H,23,24)/p-1