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

Systemtic Name: 2-diethylaminoethyl 4-[[1-ethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(1-ethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(1-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(1-ethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid 2-diethylaminoethyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)C(=CNC2=CC=C(C=C2)C(=O)OCCN(CC)CC)C(=O)NC1=S

InChI

InChI=1S/C20H26N4O4S/c1-4-23(5-2)11-12-28-19(27)14-7-9-15(10-8-14)21-13-16-17(25)22-20(29)24(6-3)18(16)26/h7-10,13,21H,4-6,11-12H2,1-3H3,(H,22,25,29)