1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C11H12ClN3O2S MolecularWeight: 285.74988

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

Isomeric SMILES

C=CCNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

InChI

InChI=1S/C11H12ClN3O2S/c1-2-3-13-11(18)15-14-6-7-4-8(12)10(17)9(16)5-7/h2,4-6,14,16H,1,3H2,(H2,13,15,18)