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

Systemtic Name: 2-methylpropyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: isobutyl 4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid isobutyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C16H17N3O4S/c1-9(2)8-23-15(22)10-3-5-11(6-4-10)17-7-12-13(20)18-16(24)19-14(12)21/h3-7,9,17H,8H2,1-2H3,(H2,18,19,20,21,24)