1-methyl-3-[[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea

Systemtic Name: 1-methyl-3-[[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Openeye Name: 1-[[(E)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-methyl-thiourea CAS Name: 1-[[(E)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-methylthiourea IUPAC Name: 1-[[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-methylthiourea Traditional Name: 1-[[(E)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-methyl-thiourea Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC=C1C=CC(=O)C(=C1)O

Isomeric SMILES

CNC(=S)NN/C=C/1\C=CC(=O)C(=C1)O

InChI

InChI=1S/C9H11N3O2S/c1-10-9(15)12-11-5-6-2-3-7(13)8(14)4-6/h2-5,11,14H,1H3,(H2,10,12,15)/b6-5+