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

Systemtic Name: 1-butyl-3-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C14H20ClN3O2S MolecularWeight: 329.8455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O2S/c1-3-5-6-16-14(21)18-17-9-10-7-11(15)13(19)12(8-10)20-4-2/h7-9,17H,3-6H2,1-2H3,(H2,16,18,21)