1-[1-[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]ethylamino]-3-butyl-thiourea

Systemtic Name: 1-[1-[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]ethylamino]-3-butyl-thiourea Openeye Name: 1-butyl-3-[1-(3,5-dichloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-butyl-3-[1-(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-butyl-3-[1-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-butyl-3-[1-(3,5-dichloro-6-keto-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Formula: C13H17Cl2N3OS MolecularWeight: 334.26458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N3OS/c1-3-4-5-16-13(20)18-17-8(2)10-6-9(14)7-11(15)12(10)19/h6-7,17H,3-5H2,1-2H3,(H2,16,18,20)