1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NNC=C2C=C(C(=O)C(=C2)Cl)O

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)NNC=C2C=C(C(=O)C(=C2)Cl)O

InChI

InChI=1S/C13H16ClN3O3S/c14-10-4-8(5-11(18)12(10)19)6-16-17-13(21)15-7-9-2-1-3-20-9/h4-6,9,16,18H,1-3,7H2,(H2,15,17,21)/t9-/m1/s1