1-[(E)-[5-methyl-4,6,6-tris(oxidanylidene)pyrano[3,2-c][1,2]benzothiazin-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-methyl-4,6,6-tris(oxidanylidene)pyrano[3,2-c][1,2]benzothiazin-3-yl]methylideneamino]thiourea Openeye Name: [(E)-(5-methyl-4,6,6-trioxo-pyrano[3,2-c][1,2]benzothiazin-3-yl)methyleneamino]thiourea CAS Name: [(E)-(5-methyl-4,6,6-trioxo-3-pyrano[3,2-c][1,2]benzothiazinyl)methylideneamino]thiourea IUPAC Name: [(E)-(5-methyl-4,6,6-trioxopyrano[3,2-c][1,2]benzothiazin-3-yl)methylideneamino]thiourea Traditional Name: [(E)-(4,6,6-triketo-5-methyl-pyrano[3,2-c][1,2]benzothiazin-3-yl)methyleneamino]thiourea Formula: C14H12N4O4S2 MolecularWeight: 364.39948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC=C(C2=O)C=NNC(=S)N

Isomeric SMILES

CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC=C(C2=O)/C=N/NC(=S)N

InChI

InChI=1S/C14H12N4O4S2/c1-18-11-12(19)8(6-16-17-14(15)23)7-22-13(11)9-4-2-3-5-10(9)24(18,20)21/h2-7H,1H3,(H3,15,17,23)/b16-6+