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

Systemtic Name: butyl 4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-2-3-8-23-15(22)10-4-6-11(7-5-10)17-9-12-13(20)18-16(24)19-14(12)21/h4-7,9,17H,2-3,8H2,1H3,(H2,18,19,20,21,24)