4-[[[(5S)-4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]methyl]benzoate

Systemtic Name: 4-[[[(5S)-4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]methyl]benzoate Openeye Name: 4-[[[(5S)-1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]methyl]benzoate CAS Name: 4-[[[(5S)-4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]methyl]benzoate IUPAC Name: 4-[[[(5S)-4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]methyl]benzoate Traditional Name: 4-[[[(5S)-1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]methyl]benzoate Formula: C16H14N3O4S- MolecularWeight: 344.36506

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(C(=O)NC1=S)C=NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C=CCN1C(=O)[C@H](C(=O)NC1=S)C=NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-2-7-19-14(21)12(13(20)18-16(19)24)9-17-8-10-3-5-11(6-4-10)15(22)23/h2-6,9,12H,1,7-8H2,(H,22,23)(H,18,20,24)/p-1/t12-/m0/s1