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

Systemtic Name: 1-[[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-butyl-thiourea Openeye Name: 1-butyl-3-[(3,5-dichloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(3,5-dichloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C12H15Cl2N3OS MolecularWeight: 320.238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2N3OS/c1-2-3-4-15-12(19)17-16-7-8-5-9(13)6-10(14)11(8)18/h5-7,16H,2-4H2,1H3,(H2,15,17,19)