1-[[4-chloranyl-1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)butyl]amino]thiourea

Systemtic Name: 1-[[4-chloranyl-1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)butyl]amino]thiourea Openeye Name: [[4-chloro-1-(4-oxocyclohexa-2,5-dien-1-ylidene)butyl]amino]thiourea CAS Name: [[4-chloro-1-(4-oxo-1-cyclohexa-2,5-dienylidene)butyl]amino]thiourea IUPAC Name: [[4-chloro-1-(4-oxocyclohexa-2,5-dien-1-ylidene)butyl]amino]thiourea Traditional Name: [[4-chloro-1-(4-ketocyclohexa-2,5-dien-1-ylidene)butyl]amino]thiourea Formula: C11H14ClN3OS MolecularWeight: 271.76636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C(CCCCl)NNC(=S)N

Isomeric SMILES

C1=CC(=O)C=CC1=C(CCCCl)NNC(=S)N

InChI

InChI=1S/C11H14ClN3OS/c12-7-1-2-10(14-15-11(13)17)8-3-5-9(16)6-4-8/h3-6,14H,1-2,7H2,(H3,13,15,17)