sodium 1-[(E)-(2-phenyl-1,3-dioxan-2-yl)methylideneamino]thiourea

Systemtic Name: sodium 1-[(E)-(2-phenyl-1,3-dioxan-2-yl)methylideneamino]thiourea Openeye Name: sodium [(E)-(2-phenyl-1,3-dioxan-2-yl)methyleneamino]thiourea CAS Name: sodium [(E)-(2-phenyl-1,3-dioxan-2-yl)methylideneamino]thiourea IUPAC Name: sodium [(E)-(2-phenyl-1,3-dioxan-2-yl)methylideneamino]thiourea Traditional Name: sodium [(E)-(2-phenyl-1,3-dioxan-2-yl)methyleneamino]thiourea Formula: C12H15N3NaO2S+ MolecularWeight: 288.32117

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)(C=NNC(=S)N)C2=CC=CC=C2.[Na+]

Isomeric SMILES

C1COC(OC1)(/C=N/NC(=S)N)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C12H15N3O2S.Na/c13-11(18)15-14-9-12(16-7-4-8-17-12)10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8H2,(H3,13,15,18);/q;+1/b14-9+;