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

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-pentyl-thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-pentylthiourea IUPAC Name: 1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C13H18ClN3O2S MolecularWeight: 315.81892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2S/c1-2-3-4-5-15-13(20)17-16-8-9-6-10(14)12(19)11(18)7-9/h6-8,16,18H,2-5H2,1H3,(H2,15,17,20)