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

Systemtic Name: 1-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C11H13N3O2S MolecularWeight: 251.30482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC=C1C=CC(=O)C=C1O

Isomeric SMILES

C=CCNC(=S)NNC=C1C=CC(=O)C=C1O

InChI

InChI=1S/C11H13N3O2S/c1-2-5-12-11(17)14-13-7-8-3-4-9(15)6-10(8)16/h2-4,6-7,13,16H,1,5H2,(H2,12,14,17)